5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide

C143H123F3N36O9 — CID 157084517

IUPAC5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESC=C1C=CN(C)C(c2cc(N)c3cnc(NC(=O)C4CC4C#N)cc3c2)=C1.CNC(=O)c1cc(-c2cc(N)c3cnc(NC(=O)C4CC4C#N)cc3c2)n(C)n1.Cc1ccccc1-c1cc(N)c2cnc(NC(=O)C3CC3CO)cc2c1.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)c1C#N.Cn1cc2c(-c3cc(N)c4cnc(NC(=O)C5CC5C#N)cc4c3)cccc2n1.N#CC1CC1C(=O)Nc1cc2cc(-c3cc[nH]c3)cc(N)c2cn1.N#CC1CC1C(=O)Nc1cc2cc(C3=CCN=C3C(F)(F)F)cc(N)c2cn1
InChIInChI=1S/C22H18N6O.C22H17N5O.C21H19N5O.C21H21N3O2.C20H19N7O2.C19H14F3N5O.C18H15N5O/c1-28-11-18-15(3-2-4-20(18)27-28)12-5-13-8-21(25-10-17(13)19(24)7-12)26-22(29)16-6-14(16)9-23;1-12-4-2-3-5-15(12)17-6-13-8-20(27-22(28)16-7-14(16)9-23)26-11-19(13)21(25)18(17)10-24;1-12-3-4-26(2)19(5-12)14-6-13-9-20(24-11-17(13)18(23)8-14)25-21(27)16-7-15(16)10-22;1-12-4-2-3-5-16(12)13-6-14-9-20(23-10-18(14)19(22)8-13)24-21(26)17-7-15(17)11-25;1-23-20(29)16-7-17(27(2)26-16)11-3-10-6-18(24-9-14(10)15(22)5-11)25-19(28)13-4-12(13)8-21;20-19(21,22)17-12(1-2-25-17)9-3-10-6-16(26-8-14(10)15(24)5-9)27-18(28)13-4-11(13)7-23;19-7-13-4-14(13)18(24)23-17-6-12-3-11(10-1-2-21-8-10)5-16(20)15(12)9-22-17/h2-5,7-8,10-11,14,16H,6,24H2,1H3,(H,25,26,29);2-6,8,11,14,16H,7,25H2,1H3,(H,26,27,28);3-6,8-9,11,15-16H,1,7,23H2,2H3,(H,24,25,27);2-6,8-10,15,17,25H,7,11,22H2,1H3,(H,23,24,26);3,5-7,9,12-13H,4,22H2,1-2H3,(H,23,29)(H,24,25,28);1,3,5-6,8,11,13H,2,4,24H2,(H,26,27,28);1-3,5-6,8-9,13-14,21H,4,20H2,(H,22,23,24)
InChIKeyADYAJIYKOGGNAU-UHFFFAOYSA-N
MW2546.79 g/mol
LogP21.76
Rot. Bonds23

About 5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide

5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 157084517) has the molecular formula C143H123F3N36O9 and a molecular weight of 2546.79 g/mol. Its IUPAC name is 5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound Name5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
PubChem CID157084517
Molecular FormulaC143H123F3N36O9
Molecular Weight2546.79 g/mol
Exact Mass2545.02
IUPAC Name5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESC=C1C=CN(C)C(c2cc(N)c3cnc(NC(=O)C4CC4C#N)cc3c2)=C1.CNC(=O)c1cc(-c2cc(N)c3cnc(NC(=O)C4CC4C#N)cc3c2)n(C)n1.Cc1ccccc1-c1cc(N)c2cnc(NC(=O)C3CC3CO)cc2c1.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)c1C#N.Cn1cc2c(-c3cc(N)c4cnc(NC(=O)C5CC5C#N)cc4c3)cccc2n1.N#CC1CC1C(=O)Nc1cc2cc(-c3cc[nH]c3)cc(N)c2cn1.N#CC1CC1C(=O)Nc1cc2cc(C3=CCN=C3C(F)(F)F)cc(N)c2cn1
InChIInChI=1S/C22H18N6O.C22H17N5O.C21H19N5O.C21H21N3O2.C20H19N7O2.C19H14F3N5O.C18H15N5O/c1-28-11-18-15(3-2-4-20(18)27-28)12-5-13-8-21(25-10-17(13)19(24)7-12)26-22(29)16-6-14(16)9-23;1-12-4-2-3-5-15(12)17-6-13-8-20(27-22(28)16-7-14(16)9-23)26-11-19(13)21(25)18(17)10-24;1-12-3-4-26(2)19(5-12)14-6-13-9-20(24-11-17(13)18(23)8-14)25-21(27)16-7-15(16)10-22;1-12-4-2-3-5-16(12)13-6-14-9-20(23-10-18(14)19(22)8-13)24-21(26)17-7-15(17)11-25;1-23-20(29)16-7-17(27(2)26-16)11-3-10-6-18(24-9-14(10)15(22)5-11)25-19(28)13-4-12(13)8-21;20-19(21,22)17-12(1-2-25-17)9-3-10-6-16(26-8-14(10)15(24)5-9)27-18(28)13-4-11(13)7-23;19-7-13-4-14(13)18(24)23-17-6-12-3-11(10-1-2-21-8-10)5-16(20)15(12)9-22-17/h2-5,7-8,10-11,14,16H,6,24H2,1H3,(H,25,26,29);2-6,8,11,14,16H,7,25H2,1H3,(H,26,27,28);3-6,8-9,11,15-16H,1,7,23H2,2H3,(H,24,25,27);2-6,8-10,15,17,25H,7,11,22H2,1H3,(H,23,24,26);3,5-7,9,12-13H,4,22H2,1-2H3,(H,23,29)(H,24,25,28);1,3,5-6,8,11,13H,2,4,24H2,(H,26,27,28);1-3,5-6,8-9,13-14,21H,4,20H2,(H,22,23,24)
InChIKeyADYAJIYKOGGNAU-UHFFFAOYSA-N
XLogP21.76
TPSA758.96 Ų
H-Bond Donors17
H-Bond Acceptors36
Rotatable Bonds23
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002546.79
LogP ≤ 521.76
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide with MolForge

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Related Compounds

5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(6-methylimidazo[1,2-a]pyridin-7-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 157129293
5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide;N-[8-amino-6-(6-methylimidazo[1,2-a]pyridin-7-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 157846066
cis-(1S,2S)-N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(dimethylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-ethyl-5-methyl-1H-pyrazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-7-methyl-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 158163187
cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 158311751
5-[8-amino-3-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;cis-(1S,2S)-N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(dimethylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-ethyl-5-methyl-1H-pyrazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 159300579
CID 159779082
CID 159779082
N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[4-(4,4-difluoropentanoyl)-2-methylphenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-propan-2-ylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 159872154
5-[8-amino-3-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methylimidazo[1,2-a]pyridin-7-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 157191615
4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyridin-2-one;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-cyanophenyl)urea;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 157450493
CID 157537653
CID 157537653
1-amino-5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N-methylpyrazole-3-carboxamide;N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(6-methylimidazo[1,2-a]pyridin-7-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methylpyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 157687572
N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;5-[8-amino-3-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-5,7-difluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(3-ethyl-5-methyl-1H-pyrazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methylimidazo[1,2-a]pyridin-7-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 157902588

Frequently Asked Questions

What is the IUPAC name of 5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The IUPAC name of 5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 157084517) is 5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for 5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The canonical SMILES for 5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide is C=C1C=CN(C)C(c2cc(N)c3cnc(NC(=O)C4CC4C#N)cc3c2)=C1.CNC(=O)c1cc(-c2cc(N)c3cnc(NC(=O)C4CC4C#N)cc3c2)n(C)n1.Cc1ccccc1-c1cc(N)c2cnc(NC(=O)C3CC3CO)cc2c1.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)c1C#N.Cn1cc2c(-c3cc(N)c4cnc(NC(=O)C5CC5C#N)cc4c3)cccc2n1.N#CC1CC1C(=O)Nc1cc2cc(-c3cc[nH]c3)cc(N)c2cn1.N#CC1CC1C(=O)Nc1cc2cc(C3=CCN=C3C(F)(F)F)cc(N)c2cn1.
What is the InChIKey of 5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The InChIKey is ADYAJIYKOGGNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O.C22H17N5O.C21H19N5O.C21H21N3O2.C20H19N7O2.C19H14F3N5O.C18H15N5O/c1-28-11-18-15(3-2-4-20(18)27-28)12-5-13-8-21(25-10-17(13)19(24)7-12)26-22(29)16-6-14(16)9-23;1-12-4-2-3-5-15(12)17-6-13-8-20(27-22(28)16-7-14(16)9-23)26-11-19(13)21(25)18(17)10-24;1-12-3-4-26(2)19(5-12)14-6-13-9-20(24-11-17(13)18(23)8-14)25-21(27)16-7-15(16)10-22;1-12-4-2-3-5-16(12)13-6-14-9-20(23-10-18(14)19(22)8-13)24-21(26)17-7-15(17)11-25;1-23-20(29)16-7-17(27(2)26-16)11-3-10-6-18(24-9-14(10)15(22)5-11)25-19(28)13-4-12(13)8-21;20-19(21,22)17-12(1-2-25-17)9-3-10-6-16(26-8-14(10)15(24)5-9)27-18(28)13-4-11(13)7-23;19-7-13-4-14(13)18(24)23-17-6-12-3-11(10-1-2-21-8-10)5-16(20)15(12)9-22-17/h2-5,7-8,10-11,14,16H,6,24H2,1H3,(H,25,26,29);2-6,8,11,14,16H,7,25H2,1H3,(H,26,27,28);3-6,8-9,11,15-16H,1,7,23H2,2H3,(H,24,25,27);2-6,8-10,15,17,25H,7,11,22H2,1H3,(H,23,24,26);3,5-7,9,12-13H,4,22H2,1-2H3,(H,23,29)(H,24,25,28);1,3,5-6,8,11,13H,2,4,24H2,(H,26,27,28);1-3,5-6,8-9,13-14,21H,4,20H2,(H,22,23,24).
What are the key properties of 5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?
5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 2546.79 g/mol, XLogP of 21.76, 23 rotatable bonds, 17 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1-methyl-4-methylidene-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 157084517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).