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Benzopirazoles

Compuestos bicíclicos orgánicos que constan de un benceno fusionado con un pirazol; los anillos de pirazol contienen dos átomos de nitrógeno adyacentes en un anillo de cinco elementos.
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1

a-Methyl-1H-Indazole-4-methanamine, TRC

CAS: 1159511-31-5 Fórmula molecular: C9H11N3 Peso molecular (g/mol): 161.2 Nombre IUPAC: 1-(1H-indazol-4-yl)ethanamine SMILES: CC(N)c1cccc2[nH]ncc12

Fórmula molecular C9H11N3
CAS 1159511-31-5
Peso molecular (g/mol) 161.2
SMILES CC(N)c1cccc2[nH]ncc12
Nombre IUPAC 1-(1H-indazol-4-yl)ethanamine
2

3-Methyl-6-nitroindazole, TRC

CAS: 6494-19-5 Fórmula molecular: C8H7N3O2 Peso molecular (g/mol): 177.16 Sinónimo: 6-Nitro-3-methylindazole,3-Methyl-6-nitro-1H-indazole SMILES: Cc1n[nH]c2cc(ccc12)[N+](=O)[O-]

Sinónimo 6-Nitro-3-methylindazole,3-Methyl-6-nitro-1H-indazole
Fórmula molecular C8H7N3O2
CAS 6494-19-5
Peso molecular (g/mol) 177.16
SMILES Cc1n[nH]c2cc(ccc12)[N+](=O)[O-]
3

Indisetron, TRC

CAS: 141549-75-9 Fórmula molecular: C17H23N5O Peso molecular (g/mol): 313.4 Sinónimo: N-[(7-endo)-3,9-Dimethyl-3,9-diazabicyclo[3.3.1]non-7-yl]-1H-indazole-3-carboxamide,endo-N-(3,9-Dimethyl-3,9-diazabicyclo[3.3.1]non-7-yl)-1H-indazole-3-carboxamide Nombre IUPAC: N-[(1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide SMILES: CN1C[C@H]2C[C@H](C[C@@H](C1)N2C)NC(=O)c3n[nH]c4ccccc34

Sinónimo N-[(7-endo)-3,9-Dimethyl-3,9-diazabicyclo[3.3.1]non-7-yl]-1H-indazole-3-carboxamide,endo-N-(3,9-Dimethyl-3,9-diazabicyclo[3.3.1]non-7-yl)-1H-indazole-3-carboxamide
Fórmula molecular C17H23N5O
CAS 141549-75-9
Peso molecular (g/mol) 313.4
SMILES CN1C[C@H]2C[C@H](C[C@@H](C1)N2C)NC(=O)c3n[nH]c4ccccc34
Nombre IUPAC N-[(1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
4

1-Desmethyl 2-Methyl Granisetron (Granisetron Impurity A), TRC

CAS: 127472-42-8 Fórmula molecular: C18 H24 N4 O Peso molecular (g/mol): 312.41 Sinónimo: 2H-Indazole-3-carboxamide, 2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, endo- (9CI),9-Azabicyclo[3.3.1]nonane, 2H-indazole-3-carboxamide deriv.,2-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide,2-methyl-N-[(1R,3r,5S)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide Nombre IUPAC: 2-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide SMILES: CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3c4ccccc4nn3C

Sinónimo 2H-Indazole-3-carboxamide, 2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, endo- (9CI),9-Azabicyclo[3.3.1]nonane, 2H-indazole-3-carboxamide deriv.,2-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide,2-methyl-N-[(1R,3r,5S)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide
Fórmula molecular C18 H24 N4 O
CAS 127472-42-8
Peso molecular (g/mol) 312.41
SMILES CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3c4ccccc4nn3C
Nombre IUPAC 2-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
5

9’-Desmethyl Granisetron, TRC

CAS: 160177-67-3 Fórmula molecular: C17 H22 N4 O Peso molecular (g/mol): 298.38 Sinónimo: Granisetron Hydrochloride Imp. C (EP),N-[(1R,3r,5S)-9-Azabicyclo[3.3.1]non-3-yl]-1-methyl-1H-indazole-3-carboxamide,N-(3-endo)-9-Azabicyclo[3.3.1]non-3-yl-1-methyl-1H-indazole-3-carboxamide,endo-N-9-Azabicyclo[3.3.1]non-3-yl-1-methyl-1H-indazole-3-carboxamide Nombre IUPAC: N-[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-1-methylindazole-3-carboxamide SMILES: Cn1nc(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)N3)c4ccccc14

Sinónimo Granisetron Hydrochloride Imp. C (EP),N-[(1R,3r,5S)-9-Azabicyclo[3.3.1]non-3-yl]-1-methyl-1H-indazole-3-carboxamide,N-(3-endo)-9-Azabicyclo[3.3.1]non-3-yl-1-methyl-1H-indazole-3-carboxamide,endo-N-9-Azabicyclo[3.3.1]non-3-yl-1-methyl-1H-indazole-3-carboxamide
Fórmula molecular C17 H22 N4 O
CAS 160177-67-3
Peso molecular (g/mol) 298.38
SMILES Cn1nc(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)N3)c4ccccc14
Nombre IUPAC N-[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-1-methylindazole-3-carboxamide
6

N-(2-Chloro-4-pyrimidinyl)-2,3-dimethyl-2H-indazol-6-amine, TRC

CAS: 444731-74-2 Fórmula molecular: C13 H12 Cl N5 Peso molecular (g/mol): 273.7209 Sinónimo: Pazopanib related,GW 790323X Nombre IUPAC: N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine SMILES: Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C

Sinónimo Pazopanib related,GW 790323X
Fórmula molecular C13 H12 Cl N5
CAS 444731-74-2
Peso molecular (g/mol) 273.7209
SMILES Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C
Nombre IUPAC N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine
7

3,6-Diiodo-1H-indazole, TRC

CAS: 319472-78-1 Fórmula molecular: C7H4I2N2 Peso molecular (g/mol): 369.93 Sinónimo: 1H-Indazole, 3,6-diiodo- (9CI, ACI),3,6-Diiodo-1H-indazole (ACI),3,6-Diiodo-2H-indazole SMILES: Ic1ccc2c(I)n[nH]c2c1

Sinónimo 1H-Indazole, 3,6-diiodo- (9CI, ACI),3,6-Diiodo-1H-indazole (ACI),3,6-Diiodo-2H-indazole
Fórmula molecular C7H4I2N2
CAS 319472-78-1
Peso molecular (g/mol) 369.93
SMILES Ic1ccc2c(I)n[nH]c2c1
8

Granisetron, TRC

CAS: 109889-09-0 Fórmula molecular: C18 H24 N4 O Peso molecular (g/mol): 312.41 Sinónimo: 1H-Indazole-3-carboxamide, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-,1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, endo-,1-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide,9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.,BRL 43694,BRL 43964,Granisetron,Kevatril,Sustol,endo-Granisetron Nombre IUPAC: 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide SMILES: CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4ccccc34

Sinónimo 1H-Indazole-3-carboxamide, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-,1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, endo-,1-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide,9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.,BRL 43694,BRL 43964,Granisetron,Kevatril,Sustol,endo-Granisetron
Fórmula molecular C18 H24 N4 O
CAS 109889-09-0
Peso molecular (g/mol) 312.41
SMILES CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4ccccc34
Nombre IUPAC 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
9

7-Hydroxy Granisetron Hydrochloride, TRC

CAS: 133841-04-0 Fórmula molecular: C18 H24 N4 O2 . Cl H Peso molecular (g/mol): 364.87 Sinónimo: 1H-Indazole-3-carboxamide, 7-hydroxy-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, monohydrochloride, endo- (9CI),9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.,7-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide hydrochloride,7-Hydroxygranisetron hydrochloride,7-Hydroxy granisetron hydrochloride Nombre IUPAC: 7-hydroxy-1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride SMILES: Cl.CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4c(O)cccc34

Sinónimo 1H-Indazole-3-carboxamide, 7-hydroxy-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, monohydrochloride, endo- (9CI),9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.,7-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide hydrochloride,7-Hydroxygranisetron hydrochloride,7-Hydroxy granisetron hydrochloride
Fórmula molecular C18 H24 N4 O2 . Cl H
CAS 133841-04-0
Peso molecular (g/mol) 364.87
SMILES Cl.CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4c(O)cccc34
Nombre IUPAC 7-hydroxy-1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
10

1-Desmethyl Granisetron (Granisetron Impurity B), TRC

CAS: 107007-95-4 Fórmula molecular: C17 H22 N4 O Peso molecular (g/mol): 298.38 Sinónimo: Granisetron Hydrochloride Imp. B (EP),N-[(1R,3r,5S)-9-Methyl-9-azabicyclo-[3.3.1]non-3-yl]-1H-indazole-3-carboxamide,N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-Indazole-3-carboxamide,endo-N-(9-Methyl-9-azabicyclo[3.3.1]non-3-yl)-1H-Indazole-3-carboxamide,9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv. Nombre IUPAC: N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1H-indazole-3-carboxamide SMILES: CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3n[nH]c4ccccc34

Sinónimo Granisetron Hydrochloride Imp. B (EP),N-[(1R,3r,5S)-9-Methyl-9-azabicyclo-[3.3.1]non-3-yl]-1H-indazole-3-carboxamide,N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-Indazole-3-carboxamide,endo-N-(9-Methyl-9-azabicyclo[3.3.1]non-3-yl)-1H-Indazole-3-carboxamide,9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.
Fórmula molecular C17 H22 N4 O
CAS 107007-95-4
Peso molecular (g/mol) 298.38
SMILES CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3n[nH]c4ccccc34
Nombre IUPAC N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1H-indazole-3-carboxamide
11

N,N-DidemethylN,N-diethyl Benzydamine, TRC

CAS: 47448-66-8 Fórmula molecular: C21 H27 N3 O Peso molecular (g/mol): 337.46 Sinónimo: 1-Benzyl-3-[3-(diethylamino)propoxy]-1H-indazole,N,N-Diethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine Hydrochloride; Nombre IUPAC: 3-(1-benzylindazol-3-yl)oxy-N,N-diethylpropan-1-amine SMILES: CCN(CC)CCCOc1nn(Cc2ccccc2)c3ccccc13

Sinónimo 1-Benzyl-3-[3-(diethylamino)propoxy]-1H-indazole,N,N-Diethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine Hydrochloride;
Fórmula molecular C21 H27 N3 O
CAS 47448-66-8
Peso molecular (g/mol) 337.46
SMILES CCN(CC)CCCOc1nn(Cc2ccccc2)c3ccccc13
Nombre IUPAC 3-(1-benzylindazol-3-yl)oxy-N,N-diethylpropan-1-amine
12

1,3,5-Pentanetriol, TRC

CAS: 4328-94-3 Fórmula molecular: C5H12O3 Peso molecular (g/mol): 120.15 Nombre IUPAC: pentane-1,3,5-triol SMILES: OCCC(O)CCO

Fórmula molecular C5H12O3
CAS 4328-94-3
Peso molecular (g/mol) 120.15
SMILES OCCC(O)CCO
Nombre IUPAC pentane-1,3,5-triol
13

2,3-Dimethyl-6-nitro-2H-indazole, TRC

CAS: 444731-73-1 Fórmula molecular: C9 H9 N3 O2 Peso molecular (g/mol): 191.19 Sinónimo: 2H-Indazole, 2,3-dimethyl-6-nitro-,2,3-Dimethyl-6-nitro-2H-indazole Nombre IUPAC: 2,3-dimethyl-6-nitroindazole SMILES: Cc1c2ccc(cc2nn1C)[N+](=O)[O-]

Sinónimo 2H-Indazole, 2,3-dimethyl-6-nitro-,2,3-Dimethyl-6-nitro-2H-indazole
Fórmula molecular C9 H9 N3 O2
CAS 444731-73-1
Peso molecular (g/mol) 191.19
SMILES Cc1c2ccc(cc2nn1C)[N+](=O)[O-]
Nombre IUPAC 2,3-dimethyl-6-nitroindazole
14

1-Methylindazole-3-carboxylic Acid (Granisetron Impurity D), TRC

CAS: 50890-83-0 Fórmula molecular: C9 H8 N2 O2 Peso molecular (g/mol): 176.17 Sinónimo: 1-Methyl-1H-indazole-3-carboxylic acid,Granisetron Hydrochloride Imp. D (EP),1H-Indazole-3-carboxylic acid, 1-methyl-,1-Methylindazole-3-carboxylic acid,3-Carboxy-1-methylindazole Nombre IUPAC: 1-methylindazole-3-carboxylic acid SMILES: Cn1nc(C(=O)O)c2ccccc12

Sinónimo 1-Methyl-1H-indazole-3-carboxylic acid,Granisetron Hydrochloride Imp. D (EP),1H-Indazole-3-carboxylic acid, 1-methyl-,1-Methylindazole-3-carboxylic acid,3-Carboxy-1-methylindazole
Fórmula molecular C9 H8 N2 O2
CAS 50890-83-0
Peso molecular (g/mol) 176.17
SMILES Cn1nc(C(=O)O)c2ccccc12
Nombre IUPAC 1-methylindazole-3-carboxylic acid
15

Demethyl Benzydamine Hydrochloride, TRC

CAS: 39860-97-4 Fórmula molecular: C18H22ClN3O Peso molecular (g/mol): 331.84 Sinónimo: N-Methyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine Hydrochloride,1-Benzyl-3-(3-methylaminopropoxy)-1H-indazole Monohydrochloride; SMILES: CNCCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3.Cl

Sinónimo N-Methyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine Hydrochloride,1-Benzyl-3-(3-methylaminopropoxy)-1H-indazole Monohydrochloride;
Fórmula molecular C18H22ClN3O
CAS 39860-97-4
Peso molecular (g/mol) 331.84
SMILES CNCCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3.Cl