N-[8-amino-6-(3-amino-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-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide

C102H98FN25O7 — CID 158341472

IUPACN-[8-amino-6-(3-amino-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-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCC(C)C1CCC(=O)N1c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.CC1CCC(=O)N1c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.CCc1n[nH]c(C)c1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.Cc1c(N)cccc1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)c1F
InChIInChI=1S/C21H17FN4O.C21H23N5O2.C21H19N5O.C20H20N6O.C19H19N5O2/c1-11-4-2-3-5-14(11)16-6-12-8-18(25-10-17(12)20(24)19(16)22)26-21(27)15-7-13(15)9-23;1-11(2)18-3-4-20(27)26(18)14-5-12-7-19(24-10-16(12)17(23)8-14)25-21(28)15-6-13(15)9-22;1-11-15(3-2-4-18(11)23)12-5-13-8-20(25-10-17(13)19(24)7-12)26-21(27)16-6-14(16)9-22;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;1-10-2-3-18(25)24(10)13-4-11-6-17(22-9-15(11)16(21)7-13)23-19(26)14-5-12(14)8-20/h2-6,8,10,13,15H,7,24H2,1H3,(H,25,26,27);5,7-8,10-11,13,15,18H,3-4,6,23H2,1-2H3,(H,24,25,28);2-5,7-8,10,14,16H,6,23-24H2,1H3,(H,25,26,27);4,6-7,9,13-14H,3,5,22H2,1-2H3,(H,25,26)(H,23,24,27);4,6-7,9-10,12,14H,2-3,5,21H2,1H3,(H,22,23,26)
InChIKeyGRFFIFBZQMVMLS-UHFFFAOYSA-N
MW1805.07 g/mol
LogP16.18
Rot. Bonds17

About N-[8-amino-6-(3-amino-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-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide

N-[8-amino-6-(3-amino-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-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 158341472) has the molecular formula C102H98FN25O7 and a molecular weight of 1805.07 g/mol. Its IUPAC name is N-[8-amino-6-(3-amino-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-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(3-amino-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-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
PubChem CID158341472
Molecular FormulaC102H98FN25O7
Molecular Weight1805.07 g/mol
Exact Mass1803.81
IUPAC NameN-[8-amino-6-(3-amino-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-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCC(C)C1CCC(=O)N1c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.CC1CCC(=O)N1c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.CCc1n[nH]c(C)c1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.Cc1c(N)cccc1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)c1F
InChIInChI=1S/C21H17FN4O.C21H23N5O2.C21H19N5O.C20H20N6O.C19H19N5O2/c1-11-4-2-3-5-14(11)16-6-12-8-18(25-10-17(12)20(24)19(16)22)26-21(27)15-7-13(15)9-23;1-11(2)18-3-4-20(27)26(18)14-5-12-7-19(24-10-16(12)17(23)8-14)25-21(28)15-6-13(15)9-22;1-11-15(3-2-4-18(11)23)12-5-13-8-20(25-10-17(13)19(24)7-12)26-21(27)16-6-14(16)9-22;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;1-10-2-3-18(25)24(10)13-4-11-6-17(22-9-15(11)16(21)7-13)23-19(26)14-5-12(14)8-20/h2-6,8,10,13,15H,7,24H2,1H3,(H,25,26,27);5,7-8,10-11,13,15,18H,3-4,6,23H2,1-2H3,(H,24,25,28);2-5,7-8,10,14,16H,6,23-24H2,1H3,(H,25,26,27);4,6-7,9,13-14H,3,5,22H2,1-2H3,(H,25,26)(H,23,24,27);4,6-7,9-10,12,14H,2-3,5,21H2,1H3,(H,22,23,26)
InChIKeyGRFFIFBZQMVMLS-UHFFFAOYSA-N
XLogP16.18
TPSA554.32 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001805.07
LogP ≤ 516.18
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze N-[8-amino-6-(3-amino-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-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[4-fluoro-5-[7-[1-[4-[(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)amino]-2-methyl-4-oxobutyl]piperidin-3-yl]quinolin-3-yl]-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide
CID 91069336
N-[4-fluoro-5-[7-[1-[4-[(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)amino]-3-methyl-4-oxobutyl]piperidin-3-yl]quinolin-3-yl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide
CID 143928711
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
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-[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
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
(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
CID 159938994
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
cis-(1R,2R)-N-[8-amino-6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-(8-amino-6-phenyl-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 162162096
trans-(1S,2S)-N-[8-amino-6-[5-[1-[3-[8-amino-3-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]isoquinolin-6-yl]-4-[[[6-(2-amino-3-methyl-4-pyridinyl)-3-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]isoquinolin-8-yl]amino]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-2-phenyl-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 156421781

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(3-amino-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-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The IUPAC name of N-[8-amino-6-(3-amino-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-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 158341472) is N-[8-amino-6-(3-amino-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-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-amino-6-(3-amino-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-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The canonical SMILES for N-[8-amino-6-(3-amino-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-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide is CC(C)C1CCC(=O)N1c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.CC1CCC(=O)N1c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.CCc1n[nH]c(C)c1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.Cc1c(N)cccc1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)c1F.
What is the InChIKey of N-[8-amino-6-(3-amino-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-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The InChIKey is GRFFIFBZQMVMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O.C21H23N5O2.C21H19N5O.C20H20N6O.C19H19N5O2/c1-11-4-2-3-5-14(11)16-6-12-8-18(25-10-17(12)20(24)19(16)22)26-21(27)15-7-13(15)9-23;1-11(2)18-3-4-20(27)26(18)14-5-12-7-19(24-10-16(12)17(23)8-14)25-21(28)15-6-13(15)9-22;1-11-15(3-2-4-18(11)23)12-5-13-8-20(25-10-17(13)19(24)7-12)26-21(27)16-6-14(16)9-22;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;1-10-2-3-18(25)24(10)13-4-11-6-17(22-9-15(11)16(21)7-13)23-19(26)14-5-12(14)8-20/h2-6,8,10,13,15H,7,24H2,1H3,(H,25,26,27);5,7-8,10-11,13,15,18H,3-4,6,23H2,1-2H3,(H,24,25,28);2-5,7-8,10,14,16H,6,23-24H2,1H3,(H,25,26,27);4,6-7,9,13-14H,3,5,22H2,1-2H3,(H,25,26)(H,23,24,27);4,6-7,9-10,12,14H,2-3,5,21H2,1H3,(H,22,23,26).
What are the key properties of N-[8-amino-6-(3-amino-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-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?
N-[8-amino-6-(3-amino-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-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 1805.07 g/mol, XLogP of 16.18, 17 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(3-amino-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-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 158341472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).