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

C147H132F3N33O8 — CID 158163187

IUPACcis-(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
SMILESC=C1C=CN(C)C(c2cc(N)c3cnc(NC(=O)[C@H]4C[C@@H]4C#N)cc3c2)=C1.CCc1n[nH]c(C)c1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3C#N)cc2c1.CN(C)c1ccccc1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3C#N)cc2c1.Cc1ccccc1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3CO)cc2c1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)c1C.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C#N)ncc2c(N)c1C#N.N#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(C3=CCN=C3C(F)(F)F)cc(N)c2cn1
InChIInChI=1S/C22H21N5O.C22H17N5O.C22H20N4O.C21H19N5O.C21H21N3O2.C20H20N6O.C19H14F3N5O/c1-27(2)20-6-4-3-5-16(20)13-7-14-10-21(25-12-18(14)19(24)9-13)26-22(28)17-8-15(17)11-23;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;1-12-5-3-4-6-16(12)17-7-14-9-20(25-11-19(14)21(24)13(17)2)26-22(27)18-8-15(18)10-23;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;1-3-17-19(10(2)25-26-17)12-4-11-7-18(23-9-15(11)16(22)6-12)24-20(27)14-5-13(14)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/h3-7,9-10,12,15,17H,8,24H2,1-2H3,(H,25,26,28);2-6,8,11,14,16H,7,25H2,1H3,(H,26,27,28);3-7,9,11,15,18H,8,24H2,1-2H3,(H,25,26,27);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);4,6-7,9,13-14H,3,5,22H2,1-2H3,(H,25,26)(H,23,24,27);1,3,5-6,8,11,13H,2,4,24H2,(H,26,27,28)/t15-,17+;14-,16+;15-,18+;15-,16+;15-,17+;13-,14+;11-,13+/m0101110/s1
InChIKeyFWNJAZPHXAAHOR-FJVCBWAOSA-N
MW2545.89 g/mol
LogP24.73
Rot. Bonds24

About 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

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 (PubChem CID 158163187) has the molecular formula C147H132F3N33O8 and a molecular weight of 2545.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecis-(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
PubChem CID158163187
Molecular FormulaC147H132F3N33O8
Molecular Weight2545.89 g/mol
Exact Mass2544.09
IUPAC Namecis-(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
SMILESC=C1C=CN(C)C(c2cc(N)c3cnc(NC(=O)[C@H]4C[C@@H]4C#N)cc3c2)=C1.CCc1n[nH]c(C)c1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3C#N)cc2c1.CN(C)c1ccccc1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3C#N)cc2c1.Cc1ccccc1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3CO)cc2c1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)c1C.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C#N)ncc2c(N)c1C#N.N#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(C3=CCN=C3C(F)(F)F)cc(N)c2cn1
InChIInChI=1S/C22H21N5O.C22H17N5O.C22H20N4O.C21H19N5O.C21H21N3O2.C20H20N6O.C19H14F3N5O/c1-27(2)20-6-4-3-5-16(20)13-7-14-10-21(25-12-18(14)19(24)9-13)26-22(28)17-8-15(17)11-23;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;1-12-5-3-4-6-16(12)17-7-14-9-20(25-11-19(14)21(24)13(17)2)26-22(27)18-8-15(18)10-23;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;1-3-17-19(10(2)25-26-17)12-4-11-7-18(23-9-15(11)16(22)6-12)24-20(27)14-5-13(14)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/h3-7,9-10,12,15,17H,8,24H2,1-2H3,(H,25,26,28);2-6,8,11,14,16H,7,25H2,1H3,(H,26,27,28);3-7,9,11,15,18H,8,24H2,1-2H3,(H,25,26,27);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);4,6-7,9,13-14H,3,5,22H2,1-2H3,(H,25,26)(H,23,24,27);1,3,5-6,8,11,13H,2,4,24H2,(H,26,27,28)/t15-,17+;14-,16+;15-,18+;15-,16+;15-,17+;13-,14+;11-,13+/m0101110/s1
InChIKeyFWNJAZPHXAAHOR-FJVCBWAOSA-N
XLogP24.73
TPSA710.35 Ų
H-Bond Donors16
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002545.89
LogP ≤ 524.73
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(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
cis-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 157624887
N-[8-amino-5,7-difluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;1-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-5,7-difluoro-6-(2-methylphenyl)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-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-7-(trifluoromethyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 157639999
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
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-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 158806082
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
(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;bis(trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide);trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 160469485
N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 161599554
1-[8-amino-5-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-3-methylurea;(1S,2S,3S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide;(1S,2S,3R)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-7-(hydroxymethyl)-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;7-fluoro-3-N-[1-[(1S)-1-isocyanoethyl]pyrazol-4-yl]-6-(2-methylphenyl)isoquinoline-3,8-diamine;7-fluoro-3-N-[1-[(1R)-1-isocyanoethyl]pyrazol-4-yl]-6-(2-methylphenyl)isoquinoline-3,8-diamine
CID 157219990
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1C=CN(C)C(c2cc(N)c3cnc(NC(=O)[C@H]4C[C@@H]4C#N)cc3c2)=C1.CCc1n[nH]c(C)c1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3C#N)cc2c1.CN(C)c1ccccc1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3C#N)cc2c1.Cc1ccccc1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3CO)cc2c1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)c1C.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C#N)ncc2c(N)c1C#N.N#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(C3=CCN=C3C(F)(F)F)cc(N)c2cn1.
What is the InChIKey of 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?
The InChIKey is FWNJAZPHXAAHOR-FJVCBWAOSA-N. The full InChI is InChI=1S/C22H21N5O.C22H17N5O.C22H20N4O.C21H19N5O.C21H21N3O2.C20H20N6O.C19H14F3N5O/c1-27(2)20-6-4-3-5-16(20)13-7-14-10-21(25-12-18(14)19(24)9-13)26-22(28)17-8-15(17)11-23;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;1-12-5-3-4-6-16(12)17-7-14-9-20(25-11-19(14)21(24)13(17)2)26-22(27)18-8-15(18)10-23;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;1-3-17-19(10(2)25-26-17)12-4-11-7-18(23-9-15(11)16(22)6-12)24-20(27)14-5-13(14)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/h3-7,9-10,12,15,17H,8,24H2,1-2H3,(H,25,26,28);2-6,8,11,14,16H,7,25H2,1H3,(H,26,27,28);3-7,9,11,15,18H,8,24H2,1-2H3,(H,25,26,27);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);4,6-7,9,13-14H,3,5,22H2,1-2H3,(H,25,26)(H,23,24,27);1,3,5-6,8,11,13H,2,4,24H2,(H,26,27,28)/t15-,17+;14-,16+;15-,18+;15-,16+;15-,17+;13-,14+;11-,13+/m0101110/s1.
What are the key properties of 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?
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 has a molecular weight of 2545.89 g/mol, XLogP of 24.73, 24 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158163187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).