(2R)-N-[8-amino-6-[2-methyl-3-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-piperidin-1-ylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C164H161N35O6 — CID 158001643

IUPAC(2R)-N-[8-amino-6-[2-methyl-3-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-piperidin-1-ylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1c(N)cccc1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1.Cc1c(NC(C)C)cccc1-c1cc(N)c2cnc(NC(=O)C3C[C@H]3C#N)cc2c1.Cc1cccc(-c2ccccc2)c1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2c1.Cc1cccc(-c2ccccc2)c1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1.Cc1cccc(N2CCCCC2)c1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1.Cc1ccnc(-c2ccnn2C)c1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2c1
InChIInChI=1S/2C30H27N5O.C29H32N6O.C27H26N8O.C24H24N6O.C24H25N5O/c2*1-18-7-6-10-23(19-8-4-3-5-9-19)29(18)21-11-20-13-28(32-16-26(20)27(31)12-21)34-30(36)25-14-24(25)22-15-33-35(2)17-22;1-18-7-6-8-26(35-9-4-3-5-10-35)28(18)20-11-19-13-27(31-16-24(19)25(30)12-20)33-29(36)23-14-22(23)21-15-32-34(2)17-21;1-15-4-6-29-26(23-5-7-31-35(23)3)25(15)17-8-16-10-24(30-13-21(16)22(28)9-17)33-27(36)20-11-19(20)18-12-32-34(2)14-18;1-13-17(4-3-5-21(13)25)14-6-15-8-23(27-11-20(15)22(26)7-14)29-24(31)19-9-18(19)16-10-28-30(2)12-16;1-13(2)28-22-6-4-5-18(14(22)3)15-7-16-10-23(27-12-20(16)21(26)9-15)29-24(30)19-8-17(19)11-25/h2*3-13,15-17,24-25H,14,31H2,1-2H3,(H,32,34,36);6-8,11-13,15-17,22-23H,3-5,9-10,14,30H2,1-2H3,(H,31,33,36);4-10,12-14,19-20H,11,28H2,1-3H3,(H,30,33,36);3-8,10-12,18-19H,9,25-26H2,1-2H3,(H,27,29,31);4-7,9-10,12-13,17,19,28H,8,26H2,1-3H3,(H,27,29,30)/t2*24-,25+;22-,23+;19-,20+;18-,19+;17-,19?/m101010/s1
InChIKeyFDUORDCGQLBMHR-UIOFYHBLSA-N
MW2718.33 g/mol
LogP29.75
Rot. Bonds29

About (2R)-N-[8-amino-6-[2-methyl-3-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-piperidin-1-ylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

(2R)-N-[8-amino-6-[2-methyl-3-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-piperidin-1-ylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 158001643) has the molecular formula C164H161N35O6 and a molecular weight of 2718.33 g/mol. Its IUPAC name is (2R)-N-[8-amino-6-[2-methyl-3-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-piperidin-1-ylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[8-amino-6-[2-methyl-3-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-piperidin-1-ylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID158001643
Molecular FormulaC164H161N35O6
Molecular Weight2718.33 g/mol
Exact Mass2716.34
IUPAC Name(2R)-N-[8-amino-6-[2-methyl-3-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-piperidin-1-ylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1c(N)cccc1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1.Cc1c(NC(C)C)cccc1-c1cc(N)c2cnc(NC(=O)C3C[C@H]3C#N)cc2c1.Cc1cccc(-c2ccccc2)c1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2c1.Cc1cccc(-c2ccccc2)c1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1.Cc1cccc(N2CCCCC2)c1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1.Cc1ccnc(-c2ccnn2C)c1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2c1
InChIInChI=1S/2C30H27N5O.C29H32N6O.C27H26N8O.C24H24N6O.C24H25N5O/c2*1-18-7-6-10-23(19-8-4-3-5-9-19)29(18)21-11-20-13-28(32-16-26(20)27(31)12-21)34-30(36)25-14-24(25)22-15-33-35(2)17-22;1-18-7-6-8-26(35-9-4-3-5-10-35)28(18)20-11-19-13-27(31-16-24(19)25(30)12-20)33-29(36)23-14-22(23)21-15-32-34(2)17-21;1-15-4-6-29-26(23-5-7-31-35(23)3)25(15)17-8-16-10-24(30-13-21(16)22(28)9-17)33-27(36)20-11-19(20)18-12-32-34(2)14-18;1-13-17(4-3-5-21(13)25)14-6-15-8-23(27-11-20(15)22(26)7-14)29-24(31)19-9-18(19)16-10-28-30(2)12-16;1-13(2)28-22-6-4-5-18(14(22)3)15-7-16-10-23(27-12-20(16)21(26)9-15)29-24(30)19-8-17(19)11-25/h2*3-13,15-17,24-25H,14,31H2,1-2H3,(H,32,34,36);6-8,11-13,15-17,22-23H,3-5,9-10,14,30H2,1-2H3,(H,31,33,36);4-10,12-14,19-20H,11,28H2,1-3H3,(H,30,33,36);3-8,10-12,18-19H,9,25-26H2,1-2H3,(H,27,29,31);4-7,9-10,12-13,17,19,28H,8,26H2,1-3H3,(H,27,29,30)/t2*24-,25+;22-,23+;19-,20+;18-,19+;17-,19?/m101010/s1
InChIKeyFDUORDCGQLBMHR-UIOFYHBLSA-N
XLogP29.75
TPSA592.95 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds29
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002718.33
LogP ≤ 529.75
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze (2R)-N-[8-amino-6-[2-methyl-3-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-piperidin-1-ylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

(1S,2S)-N-(8-amino-6-(4-methyl-2-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropanecarboxamide
CID 135342874
(1R,2R)-N-(8-amino-6-(4-methyl-2-(1-methyl-1H-pyrazol-5-yl)pyridin-3-yl)isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 135343118
(1S,2S)-N-(8-amino-6-(4-methyl-2-(1-methyl-1H-pyrazol-5-yl)pyridin-3-yl)isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 135343350
trans-(1R,2R)-N-[8-[2-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-fluoroanilino]-6-(5-fluoro-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 156477377
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
CID 157297860
CID 157297860
N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone
CID 157407134
8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(2,5-dihydropyrrol-1-yl)isoquinoline;8-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)isoquinoline;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;5-tert-butyl-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one
CID 157537924
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
CID 157662133
CID 157662133
CID 157784565
CID 157784565
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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[8-amino-6-[2-methyl-3-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-piperidin-1-ylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of (2R)-N-[8-amino-6-[2-methyl-3-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-piperidin-1-ylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 158001643) is (2R)-N-[8-amino-6-[2-methyl-3-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-piperidin-1-ylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (2R)-N-[8-amino-6-[2-methyl-3-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-piperidin-1-ylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (2R)-N-[8-amino-6-[2-methyl-3-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-piperidin-1-ylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1c(N)cccc1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1.Cc1c(NC(C)C)cccc1-c1cc(N)c2cnc(NC(=O)C3C[C@H]3C#N)cc2c1.Cc1cccc(-c2ccccc2)c1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2c1.Cc1cccc(-c2ccccc2)c1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1.Cc1cccc(N2CCCCC2)c1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1.Cc1ccnc(-c2ccnn2C)c1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2c1.
What is the InChIKey of (2R)-N-[8-amino-6-[2-methyl-3-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-piperidin-1-ylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is FDUORDCGQLBMHR-UIOFYHBLSA-N. The full InChI is InChI=1S/2C30H27N5O.C29H32N6O.C27H26N8O.C24H24N6O.C24H25N5O/c2*1-18-7-6-10-23(19-8-4-3-5-9-19)29(18)21-11-20-13-28(32-16-26(20)27(31)12-21)34-30(36)25-14-24(25)22-15-33-35(2)17-22;1-18-7-6-8-26(35-9-4-3-5-10-35)28(18)20-11-19-13-27(31-16-24(19)25(30)12-20)33-29(36)23-14-22(23)21-15-32-34(2)17-21;1-15-4-6-29-26(23-5-7-31-35(23)3)25(15)17-8-16-10-24(30-13-21(16)22(28)9-17)33-27(36)20-11-19(20)18-12-32-34(2)14-18;1-13-17(4-3-5-21(13)25)14-6-15-8-23(27-11-20(15)22(26)7-14)29-24(31)19-9-18(19)16-10-28-30(2)12-16;1-13(2)28-22-6-4-5-18(14(22)3)15-7-16-10-23(27-12-20(16)21(26)9-15)29-24(30)19-8-17(19)11-25/h2*3-13,15-17,24-25H,14,31H2,1-2H3,(H,32,34,36);6-8,11-13,15-17,22-23H,3-5,9-10,14,30H2,1-2H3,(H,31,33,36);4-10,12-14,19-20H,11,28H2,1-3H3,(H,30,33,36);3-8,10-12,18-19H,9,25-26H2,1-2H3,(H,27,29,31);4-7,9-10,12-13,17,19,28H,8,26H2,1-3H3,(H,27,29,30)/t2*24-,25+;22-,23+;19-,20+;18-,19+;17-,19?/m101010/s1.
What are the key properties of (2R)-N-[8-amino-6-[2-methyl-3-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-piperidin-1-ylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
(2R)-N-[8-amino-6-[2-methyl-3-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-piperidin-1-ylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 2718.33 g/mol, XLogP of 29.75, 29 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[8-amino-6-[2-methyl-3-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-piperidin-1-ylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 158001643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).