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Piridopirimidinas

Compuestos orgánicos heterocíclicos que consisten en un anillo de piridina fusionado con un anillo de pirimidina.
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1

Paliperidona, TRC

CAS: 144598-75-4 Fórmula molecular: C23 H27 F N4 O3 Peso molecular (g/mol): 426.48 Sinónimo: (9RS)-3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,Risperidone Imp. C (EP),9-Hydroxyrisperidone,Paliperidone,R 76477,RO 76477,4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl- (9CI, ACI),1,2-Benzisoxazole, 4H-pyrido[1,2-a]pyrimidin-4-one deriv. (ZCI),3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (ACI),Invega,Invega Trinza Nombre IUPAC: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-il)piperidin-1-il]etil]-9-hidroxi-2-metil-6,7,8,9-tetrahidropirido[1,2-a]pirimidin-4-ona SMILES: CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCC(O)C5=N1

Sinónimo (9RS)-3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,Risperidone Imp. C (EP),9-Hydroxyrisperidone,Paliperidone,R 76477,RO 76477,4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl- (9CI, ACI),1,2-Benzisoxazole, 4H-pyrido[1,2-a]pyrimidin-4-one deriv. (ZCI),3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (ACI),Invega,Invega Trinza
Fórmula molecular C23 H27 F N4 O3
CAS 144598-75-4
Peso molecular (g/mol) 426.48
SMILES CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCC(O)C5=N1
Nombre IUPAC 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-il)piperidin-1-il]etil]-9-hidroxi-2-metil-6,7,8,9-tetrahidropirido[1,2-a]pirimidin-4-ona
2

Risperidona, 99 %, Thermo Scientific Chemicals

CAS: 106266-06-2 Fórmula molecular: C23H27FN4O2 Peso molecular (g/mol): 410.49 Clave InChI: RAPZEAPATHNIPO-UHFFFAOYSA-N Sinónimo: risperidone,risperidal,risperdal,risperdal consta,rispolept,risperin,rispolin,sequinan,risperidona,risperidonum PubChem CID: 5073 ChEBI: CHEBI:8871 Nombre IUPAC: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-il)piperidin-1-il]etil]-2-metil-6,7,8,9-tetrahidropirido[1,2-a]pirimidin-4-ona SMILES: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

Sinónimo risperidone,risperidal,risperdal,risperdal consta,rispolept,risperin,rispolin,sequinan,risperidona,risperidonum
Clave InChI RAPZEAPATHNIPO-UHFFFAOYSA-N
PubChem CID 5073
Fórmula molecular C23H27FN4O2
CAS 106266-06-2
ChEBI CHEBI:8871
Peso molecular (g/mol) 410.49
SMILES CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
Nombre IUPAC 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-il)piperidin-1-il]etil]-2-metil-6,7,8,9-tetrahidropirido[1,2-a]pirimidin-4-ona
6

Trametinib, TRC

CAS: 871700-17-3 Fórmula molecular: C26 H23 F I N5 O4 Peso molecular (g/mol): 615.39 Sinónimo: Acetamide, N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]-,N-[3-[3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]acetamide,G 02442104,GSK 1120212,GSK 212,JTP 74057,Mekinist,N-[3-[3-Cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide,Trametinib,Trametinib related,GSK 1120212A Nombre IUPAC: N-[3-[3-ciclopropil-5-(2-fluoro-4-iodoanilino)-6,8-dimetil-2,4,7-trioxopiridor[4,3-d]pirimidina-1-il]fenil]acetamida SMILES: CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(=O)C)c5)C

Sinónimo Acetamide, N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]-,N-[3-[3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]acetamide,G 02442104,GSK 1120212,GSK 212,JTP 74057,Mekinist,N-[3-[3-Cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide,Trametinib,Trametinib related,GSK 1120212A
Fórmula molecular C26 H23 F I N5 O4
CAS 871700-17-3
Peso molecular (g/mol) 615.39
SMILES CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(=O)C)c5)C
Nombre IUPAC N-[3-[3-ciclopropil-5-(2-fluoro-4-iodoanilino)-6,8-dimetil-2,4,7-trioxopiridor[4,3-d]pirimidina-1-il]fenil]acetamida
7

3,4-Dihidro-2H-piridito[1,2-A]pirimidina-2-uno, TRC

CAS: 5439-14-5 Fórmula molecular: C8H8N2O Peso molecular (g/mol): 148.16 SMILES: O=C1CCN2C=CC=CC2=N1

Fórmula molecular C8H8N2O
CAS 5439-14-5
Peso molecular (g/mol) 148.16
SMILES O=C1CCN2C=CC=CC2=N1
8

(R)-9-Hidroxi Risperidona, TRC

CAS: 130049-85-3 Fórmula molecular: C23 H27 F N4 O3 Peso molecular (g/mol): 426.48 Sinónimo: (9R)-3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one,(R)-9-Hydroxyrisperidone,1,2-Benzisoxazole, 4H-pyrido[1,2-a]pyrimidin-4-one deriv.,(+)-9-Hydroxyrisperidone,(9R)-3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one Nombre IUPAC: (9R)-3-[2-[4-(6-fluoro-1,2-benzoxazol-3-il)piperidina-1-il]etil]-9-hidroxi-2-metil-6,7,8,9-tetrahidropiriido[1,2-a]pirimidina-4-one SMILES: CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCC[C@@H](O)C5=N1

Sinónimo (9R)-3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one,(R)-9-Hydroxyrisperidone,1,2-Benzisoxazole, 4H-pyrido[1,2-a]pyrimidin-4-one deriv.,(+)-9-Hydroxyrisperidone,(9R)-3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Fórmula molecular C23 H27 F N4 O3
CAS 130049-85-3
Peso molecular (g/mol) 426.48
SMILES CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCC[C@@H](O)C5=N1
Nombre IUPAC (9R)-3-[2-[4-(6-fluoro-1,2-benzoxazol-3-il)piperidina-1-il]etil]-9-hidroxi-2-metil-6,7,8,9-tetrahidropiriido[1,2-a]pirimidina-4-one
9

5-Fluoro Risperidona, TRC

CAS: 1199589-74-6 Fórmula molecular: C23 H27 F N4 O2 Peso molecular (g/mol): 410.48 Sinónimo: 3-[2-[4-(5-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,Risperidone Imp. D (EP) Nombre IUPAC: 3-[2-[4-(5-fluoro-1,2-benzoxazol-3-il)piperidina-1-il]etil]-2-metil-6,7,8,9-tetrahidropiriido[1,2-a]pirimidina-4-una SMILES: CC1=C(CCN2CCC(CC2)c3noc4ccc(F)cc34)C(=O)N5CCCCC5=N1

Sinónimo 3-[2-[4-(5-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,Risperidone Imp. D (EP)
Fórmula molecular C23 H27 F N4 O2
CAS 1199589-74-6
Peso molecular (g/mol) 410.48
SMILES CC1=C(CCN2CCC(CC2)c3noc4ccc(F)cc34)C(=O)N5CCCCC5=N1
Nombre IUPAC 3-[2-[4-(5-fluoro-1,2-benzoxazol-3-il)piperidina-1-il]etil]-2-metil-6,7,8,9-tetrahidropiriido[1,2-a]pirimidina-4-una
10

2-Cloro-8-ciclopentil-5-metil-8H-pirido[2,3-d]pirimidina-7-ona, TRC

CAS: 1013916-37-4 Fórmula molecular: C13H14ClN3O Peso molecular (g/mol): 263.72 Sinónimo: 2-Chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one,2-Chloro-8-cyclopentyl-5-methyl-8H-pyrido[2,3-d]pyrimidin-7-one Nombre IUPAC: 2-cloro-8-ciclopentilo-5-metilpiriido[2,3-d]pirimidina-7-una SMILES: CC1=CC(=O)N(C2CCCC2)c3nc(Cl)ncc13

Sinónimo 2-Chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one,2-Chloro-8-cyclopentyl-5-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
Fórmula molecular C13H14ClN3O
CAS 1013916-37-4
Peso molecular (g/mol) 263.72
SMILES CC1=CC(=O)N(C2CCCC2)c3nc(Cl)ncc13
Nombre IUPAC 2-cloro-8-ciclopentilo-5-metilpiriido[2,3-d]pirimidina-7-una
11

3-(2-Cloroetil)-2-metil-6,7,8,9-tetrahidro-4H-pirido[1,2-a]pirimidina-4-una, TRC

CAS: 63234-80-0 Fórmula molecular: C11 H15 Cl N2 O Peso molecular (g/mol): 226.7 Sinónimo: Risperidone EP Impurity L Nombre IUPAC: 3-(2-cloroetil)-2-metil-6,7,8,9-tetrahidropiriido[1,2-a]pirimidina-4-una SMILES: CC1=C(CCCl)C(=O)N2CCCCC2=N1

Sinónimo Risperidone EP Impurity L
Fórmula molecular C11 H15 Cl N2 O
CAS 63234-80-0
Peso molecular (g/mol) 226.7
SMILES CC1=C(CCCl)C(=O)N2CCCCC2=N1
Nombre IUPAC 3-(2-cloroetil)-2-metil-6,7,8,9-tetrahidropiriido[1,2-a]pirimidina-4-una
12

3-(2-Cloroetil)-6,7,8,9-tetrahidro-9-hidroxi-2-metil-4H-pirido[1,2-a]pirimidina-4-una, TRC

CAS: 130049-82-0 Fórmula molecular: C11 H15 Cl N2 O2 Peso molecular (g/mol): 242.7 Sinónimo: 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-,3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one,3-(2-Chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,3-(2-Chloroethyl)-9-hydroxy-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one,9-Hydroxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one Nombre IUPAC: 3-(2-cloroetil)-9-hidroxi-2-metil-6,7,8,9-tetrahidropiriido[1,2-a]pirimidina-4-una SMILES: CC1=C(CCCl)C(=O)N2CCCC(O)C2=N1

Sinónimo 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-,3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one,3-(2-Chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,3-(2-Chloroethyl)-9-hydroxy-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one,9-Hydroxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
Fórmula molecular C11 H15 Cl N2 O2
CAS 130049-82-0
Peso molecular (g/mol) 242.7
SMILES CC1=C(CCCl)C(=O)N2CCCC(O)C2=N1
Nombre IUPAC 3-(2-cloroetil)-9-hidroxi-2-metil-6,7,8,9-tetrahidropiriido[1,2-a]pirimidina-4-una
13

3-Ciclopropil-1-(2-fluoro-4-iodofenilo)-5-hidroxi-6,8-dimetilpiridito [2,3-d]pirimidina-2,4,7-triona, TRC

CAS: 871700-24-2 Fórmula molecular: C18 H15 F I N3 O4 Peso molecular (g/mol): 483.23 Sinónimo: Pyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione, 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethyl-,3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione,3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethyl-1H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione,GSK 1375981A Nombre IUPAC: 3-ciclopropil-1-(2-fluoro-4-iodofenilo)-5-hidroxi-6,8-dimetilpiridito[2,3-d]pirimidina-2,4,7-triona SMILES: CN1C(=O)C(=C(O)C2=C1N(C(=O)N(C3CC3)C2=O)c4ccc(I)cc4F)C

Sinónimo Pyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione, 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethyl-,3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione,3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethyl-1H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione,GSK 1375981A
Fórmula molecular C18 H15 F I N3 O4
CAS 871700-24-2
Peso molecular (g/mol) 483.23
SMILES CN1C(=O)C(=C(O)C2=C1N(C(=O)N(C3CC3)C2=O)c4ccc(I)cc4F)C
Nombre IUPAC 3-ciclopropil-1-(2-fluoro-4-iodofenilo)-5-hidroxi-6,8-dimetilpiridito[2,3-d]pirimidina-2,4,7-triona
14

9-Ceto Risperidona (90%), TRC

CAS: 1189516-65-1 Fórmula molecular: C23 H25 F N4 O3 Peso molecular (g/mol): 424.468 Sinónimo: 4H-Pyrido[1,2-a]pyrimidine-4,9(6H)-dione, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-7,8-dihydro-2-methyl-,3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-7,8-dihydro-2-methyl-4H-pyrido[1,2-a]pyrimidine-4,9(6H)-dione,Keto paliper,3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-4H-pyrido[1,2-a]pyrimidine-4,9(6H)-dione Nombre IUPAC: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-il)piperidina-1-il]etil]-2-metil-7,8-dihidro-6H-pirido[1,2-a]pirimidina-4,9-diona SMILES: CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCC(=O)C5=N1

Sinónimo 4H-Pyrido[1,2-a]pyrimidine-4,9(6H)-dione, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-7,8-dihydro-2-methyl-,3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-7,8-dihydro-2-methyl-4H-pyrido[1,2-a]pyrimidine-4,9(6H)-dione,Keto paliper,3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-4H-pyrido[1,2-a]pyrimidine-4,9(6H)-dione
Fórmula molecular C23 H25 F N4 O3
CAS 1189516-65-1
Peso molecular (g/mol) 424.468
SMILES CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCC(=O)C5=N1
Nombre IUPAC 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-il)piperidina-1-il]etil]-2-metil-7,8-dihidro-6H-pirido[1,2-a]pirimidina-4,9-diona
15

9-Hidroxi-piridi[1,2-a]pirimidina-4-una (~90%), TRC

CAS: 123458-49-1 Fórmula molecular: C8H6N2O2 Peso molecular (g/mol): 162.15 Nombre IUPAC: 9-hidroxipiridiro[1,2-a]pirimidina-4-una SMILES: OC1=CC=CN2C(=O)C=CN=C12

Fórmula molecular C8H6N2O2
CAS 123458-49-1
Peso molecular (g/mol) 162.15
SMILES OC1=CC=CN2C(=O)C=CN=C12
Nombre IUPAC 9-hidroxipiridiro[1,2-a]pirimidina-4-una