1-(3,5-dimethylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-ethanimidoylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-nitropyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-pyrazol-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-8-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C134H101F3N42O2 — CID 158427772

IUPAC1-(3,5-dimethylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-ethanimidoylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-nitropyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-pyrazol-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-8-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCc1cc(C)n(-c2nccc3cc(NC4=NCc5cccnc54)ccc23)n1.Cc1ccn(-c2nccc3cc(NC4=NCc5cccnc54)ccc23)n1.FC(F)(F)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12.O=[N+]([O-])c1cnn(-c2nccc3cc(NC4=NCc5cccnc54)ccc23)c1.[H]/N=C(\C)c1cnn(-c2nccc3cc(NC4=NCc5cccnc54)ccc23)c1.c1cnc2c(c1)CN=C2Nc1ccc2c(-n3cccn3)nccc2c1.c1cnc2c(c1)CN=C2Nc1ccc2c(ccn3ncnc23)c1
InChIInChI=1S/C21H17N7.C21H18N6.C20H16N6.C19H13N7O2.C19H14N6.C17H11F3N4.C17H12N6/c1-13(22)16-11-26-28(12-16)21-18-5-4-17(9-14(18)6-8-24-21)27-20-19-15(10-25-20)3-2-7-23-19;1-13-10-14(2)27(26-13)21-18-6-5-17(11-15(18)7-9-23-21)25-20-19-16(12-24-20)4-3-8-22-19;1-13-7-10-26(25-13)20-17-5-4-16(11-14(17)6-9-22-20)24-19-18-15(12-23-19)3-2-8-21-18;27-26(28)15-10-23-25(11-15)19-16-4-3-14(8-12(16)5-7-21-19)24-18-17-13(9-22-18)2-1-6-20-17;1-3-14-12-22-18(17(14)20-7-1)24-15-4-5-16-13(11-15)6-9-21-19(16)25-10-2-8-23-25;18-17(19,20)13-4-1-3-10-9-11(6-7-12(10)13)22-16-15-14(23-24-16)5-2-8-21-15;1-2-12-9-19-16(15(12)18-6-1)22-13-3-4-14-11(8-13)5-7-23-17(14)20-10-21-23/h2-9,11-12,22H,10H2,1H3,(H,25,27);3-11H,12H2,1-2H3,(H,24,25);2-11H,12H2,1H3,(H,23,24);1-8,10-11H,9H2,(H,22,24);1-11H,12H2,(H,22,24);1-9H,(H2,22,23,24);1-8,10H,9H2,(H,19,22)/b22-13+;;;;;;
InChIKeyHBGOZJVIJLJWEQ-JVAYIDETSA-N
MW2388.57 g/mol
LogP24.68
Rot. Bonds15

About 1-(3,5-dimethylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-ethanimidoylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-nitropyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-pyrazol-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-8-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

1-(3,5-dimethylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-ethanimidoylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-nitropyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-pyrazol-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-8-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 158427772) has the molecular formula C134H101F3N42O2 and a molecular weight of 2388.57 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-ethanimidoylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-nitropyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-pyrazol-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-8-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-ethanimidoylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-nitropyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-pyrazol-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-8-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID158427772
Molecular FormulaC134H101F3N42O2
Molecular Weight2388.57 g/mol
Exact Mass2386.90
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-ethanimidoylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-nitropyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-pyrazol-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-8-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCc1cc(C)n(-c2nccc3cc(NC4=NCc5cccnc54)ccc23)n1.Cc1ccn(-c2nccc3cc(NC4=NCc5cccnc54)ccc23)n1.FC(F)(F)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12.O=[N+]([O-])c1cnn(-c2nccc3cc(NC4=NCc5cccnc54)ccc23)c1.[H]/N=C(\C)c1cnn(-c2nccc3cc(NC4=NCc5cccnc54)ccc23)c1.c1cnc2c(c1)CN=C2Nc1ccc2c(-n3cccn3)nccc2c1.c1cnc2c(c1)CN=C2Nc1ccc2c(ccn3ncnc23)c1
InChIInChI=1S/C21H17N7.C21H18N6.C20H16N6.C19H13N7O2.C19H14N6.C17H11F3N4.C17H12N6/c1-13(22)16-11-26-28(12-16)21-18-5-4-17(9-14(18)6-8-24-21)27-20-19-15(10-25-20)3-2-7-23-19;1-13-10-14(2)27(26-13)21-18-6-5-17(11-15(18)7-9-23-21)25-20-19-16(12-24-20)4-3-8-22-19;1-13-7-10-26(25-13)20-17-5-4-16(11-14(17)6-9-22-20)24-19-18-15(12-23-19)3-2-8-21-18;27-26(28)15-10-23-25(11-15)19-16-4-3-14(8-12(16)5-7-21-19)24-18-17-13(9-22-18)2-1-6-20-17;1-3-14-12-22-18(17(14)20-7-1)24-15-4-5-16-13(11-15)6-9-21-19(16)25-10-2-8-23-25;18-17(19,20)13-4-1-3-10-9-11(6-7-12(10)13)22-16-15-14(23-24-16)5-2-8-21-15;1-2-12-9-19-16(15(12)18-6-1)22-13-3-4-14-11(8-13)5-7-23-17(14)20-10-21-23/h2-9,11-12,22H,10H2,1H3,(H,25,27);3-11H,12H2,1-2H3,(H,24,25);2-11H,12H2,1H3,(H,23,24);1-8,10-11H,9H2,(H,22,24);1-11H,12H2,(H,22,24);1-9H,(H2,22,23,24);1-8,10H,9H2,(H,19,22)/b22-13+;;;;;;
InChIKeyHBGOZJVIJLJWEQ-JVAYIDETSA-N
XLogP24.68
TPSA528.01 Ų
H-Bond Donors9
H-Bond Acceptors42
Rotatable Bonds15
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002388.57
LogP ≤ 524.68
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(3,5-dimethylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-ethanimidoylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-nitropyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-pyrazol-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-8-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836648
7-[2,6-difluoro-4-[(1S,4S)-5-methyl-5-oxido-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837299
3-(1H-indazol-4-yl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 90705844
1-[[2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-fluorophenyl)-1H-indol-7-yl]methyl]-3-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylurea
CID 137087771
N-[3-[2-[1-[[2-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]methyl]-5-[5-(propan-2-ylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137246347
3-[4-[(1E)-1-(4,4-difluoropiperidin-1-yl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-piperidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 145034971
N-(1-cyclohexylethenyl)-5-[3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;ethane
CID 145308173
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 145664847
3-[4-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]-7-[2-[4-[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenyl]piperazin-1-yl]propyl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-7-ium
CID 145664852
N-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-[[2-[3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]anilino]ethyl-methylamino]methyl]indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 154939197
N-[3-[2-[1-[[2-[3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]methyl]-5-[5-(ethylaminomethyl)-3-pyridinyl]indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 156156377

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-ethanimidoylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-nitropyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-pyrazol-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-8-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-ethanimidoylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-nitropyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-pyrazol-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-8-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 158427772) is 1-(3,5-dimethylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-ethanimidoylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-nitropyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-pyrazol-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-8-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-ethanimidoylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-nitropyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-pyrazol-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-8-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-ethanimidoylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-nitropyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-pyrazol-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-8-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is Cc1cc(C)n(-c2nccc3cc(NC4=NCc5cccnc54)ccc23)n1.Cc1ccn(-c2nccc3cc(NC4=NCc5cccnc54)ccc23)n1.FC(F)(F)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12.O=[N+]([O-])c1cnn(-c2nccc3cc(NC4=NCc5cccnc54)ccc23)c1.[H]/N=C(\C)c1cnn(-c2nccc3cc(NC4=NCc5cccnc54)ccc23)c1.c1cnc2c(c1)CN=C2Nc1ccc2c(-n3cccn3)nccc2c1.c1cnc2c(c1)CN=C2Nc1ccc2c(ccn3ncnc23)c1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-ethanimidoylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-nitropyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-pyrazol-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-8-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is HBGOZJVIJLJWEQ-JVAYIDETSA-N. The full InChI is InChI=1S/C21H17N7.C21H18N6.C20H16N6.C19H13N7O2.C19H14N6.C17H11F3N4.C17H12N6/c1-13(22)16-11-26-28(12-16)21-18-5-4-17(9-14(18)6-8-24-21)27-20-19-15(10-25-20)3-2-7-23-19;1-13-10-14(2)27(26-13)21-18-6-5-17(11-15(18)7-9-23-21)25-20-19-16(12-24-20)4-3-8-22-19;1-13-7-10-26(25-13)20-17-5-4-16(11-14(17)6-9-22-20)24-19-18-15(12-23-19)3-2-8-21-18;27-26(28)15-10-23-25(11-15)19-16-4-3-14(8-12(16)5-7-21-19)24-18-17-13(9-22-18)2-1-6-20-17;1-3-14-12-22-18(17(14)20-7-1)24-15-4-5-16-13(11-15)6-9-21-19(16)25-10-2-8-23-25;18-17(19,20)13-4-1-3-10-9-11(6-7-12(10)13)22-16-15-14(23-24-16)5-2-8-21-15;1-2-12-9-19-16(15(12)18-6-1)22-13-3-4-14-11(8-13)5-7-23-17(14)20-10-21-23/h2-9,11-12,22H,10H2,1H3,(H,25,27);3-11H,12H2,1-2H3,(H,24,25);2-11H,12H2,1H3,(H,23,24);1-8,10-11H,9H2,(H,22,24);1-11H,12H2,(H,22,24);1-9H,(H2,22,23,24);1-8,10H,9H2,(H,19,22)/b22-13+;;;;;;.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-ethanimidoylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-nitropyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-pyrazol-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-8-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
1-(3,5-dimethylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-ethanimidoylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-nitropyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-pyrazol-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-8-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 2388.57 g/mol, XLogP of 24.68, 15 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-ethanimidoylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-nitropyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-pyrazol-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-8-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 158427772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).