3-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-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-(4-methyl-2H-pyrrol-5-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

C144H133FN34O12 — CID 158245910

IUPAC3-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-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-(4-methyl-2H-pyrrol-5-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.CC1(C)CN(c2cc(N)c3cnc(NC(=O)C4CC4C#N)cc3c2)C(=O)O1.CC1=CCN=C1c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.CC1CCC(=O)N1c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.CNC(=O)c1ccc(C)c(-c2cc(N)c3cnc(NC(=O)C4CC4C#N)cc3c2)c1.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)c1C#N.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)c1F
InChIInChI=1S/C23H21N5O2.C22H17N5O.C21H17FN4O.C21H23N5O2.C19H19N5O3.C19H19N5O2.C19H17N5O/c1-12-3-4-13(22(29)26-2)6-17(12)14-5-15-9-21(27-11-19(15)20(25)8-14)28-23(30)18-7-16(18)10-24;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;1-11-4-2-3-5-14(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;1-19(2)9-24(18(26)27-19)12-3-10-5-16(22-8-14(10)15(21)6-12)23-17(25)13-4-11(13)7-20;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;1-10-2-3-22-18(10)12-4-11-7-17(23-9-15(11)16(21)6-12)24-19(25)14-5-13(14)8-20/h3-6,8-9,11,16,18H,7,25H2,1-2H3,(H,26,29)(H,27,28,30);2-6,8,11,14,16H,7,25H2,1H3,(H,26,27,28);2-6,8,10,13,15H,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);3,5-6,8,11,13H,4,9,21H2,1-2H3,(H,22,23,25);4,6-7,9-10,12,14H,2-3,5,21H2,1H3,(H,22,23,26);2,4,6-7,9,13-14H,3,5,21H2,1H3,(H,23,24,25)
InChIKeyGGCOMIJXJBKKIC-UHFFFAOYSA-N
MW2550.87 g/mol
LogP21.85
Rot. Bonds23

About 3-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-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-(4-methyl-2H-pyrrol-5-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

3-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-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-(4-methyl-2H-pyrrol-5-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 158245910) has the molecular formula C144H133FN34O12 and a molecular weight of 2550.87 g/mol. Its IUPAC name is 3-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-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-(4-methyl-2H-pyrrol-5-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 Name3-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-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-(4-methyl-2H-pyrrol-5-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 CID158245910
Molecular FormulaC144H133FN34O12
Molecular Weight2550.87 g/mol
Exact Mass2549.08
IUPAC Name3-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-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-(4-methyl-2H-pyrrol-5-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.CC1(C)CN(c2cc(N)c3cnc(NC(=O)C4CC4C#N)cc3c2)C(=O)O1.CC1=CCN=C1c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.CC1CCC(=O)N1c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.CNC(=O)c1ccc(C)c(-c2cc(N)c3cnc(NC(=O)C4CC4C#N)cc3c2)c1.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)c1C#N.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)c1F
InChIInChI=1S/C23H21N5O2.C22H17N5O.C21H17FN4O.C21H23N5O2.C19H19N5O3.C19H19N5O2.C19H17N5O/c1-12-3-4-13(22(29)26-2)6-17(12)14-5-15-9-21(27-11-19(15)20(25)8-14)28-23(30)18-7-16(18)10-24;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;1-11-4-2-3-5-14(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;1-19(2)9-24(18(26)27-19)12-3-10-5-16(22-8-14(10)15(21)6-12)23-17(25)13-4-11(13)7-20;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;1-10-2-3-22-18(10)12-4-11-7-17(23-9-15(11)16(21)6-12)24-19(25)14-5-13(14)8-20/h3-6,8-9,11,16,18H,7,25H2,1-2H3,(H,26,29)(H,27,28,30);2-6,8,11,14,16H,7,25H2,1H3,(H,26,27,28);2-6,8,10,13,15H,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);3,5-6,8,11,13H,4,9,21H2,1-2H3,(H,22,23,25);4,6-7,9-10,12,14H,2-3,5,21H2,1H3,(H,22,23,26);2,4,6-7,9,13-14H,3,5,21H2,1H3,(H,23,24,25)
InChIKeyGGCOMIJXJBKKIC-UHFFFAOYSA-N
XLogP21.85
TPSA778.01 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds23
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002550.87
LogP ≤ 521.85
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 3-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-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-(4-methyl-2H-pyrrol-5-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-[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
cis-(1S,2S)-N-[8-amino-6-(3-amino-2-ethylphenyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-(8-amino-6-naphthalen-1-ylisoquinolin-3-yl)-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-propan-2-yl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-propan-2-yl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 157049793
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
1-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-3-propan-2-ylurea;cis-(1R,2R)-N-[8-amino-7-fluoro-6-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-7-fluoro-6-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 157685035
cis-(1R,2R)-N-[8-amino-7-fluoro-6-[(2R)-2-methyl-5-oxopyrrolidin-1-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-(1R,2R)-N-[8-amino-6-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 158044443
N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-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;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-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
CID 158096914
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
N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-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;N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-7-fluoro-6-[(2R)-2-methyl-5-oxopyrrolidin-1-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
CID 158809032
cis-(1R,2R)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-butanoyl-2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylidene-1,3-oxazolidin-5-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-6-oxopiperidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-pyrrol-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 158836377
3-amino-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]propanamide;cis-(1S,2S)-N-[8-amino-6-(3-amino-2-ethylphenyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4,6-diethyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-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-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-(8-amino-6-naphthalen-1-ylisoquinolin-3-yl)-2-cyanocyclopropane-1-carboxamide
CID 158867184
cis-(1S,2S)-N-[8-amino-6-(4,6-diethyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(5-methylidenepyrrolidin-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-6-methylidene-3-pyridinylidene)-2H-isoquinolin-3-yl]-2-fluorocyclopropane-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-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane
CID 159114986
3-[8-amino-3-[[(1S,2S)-2-cyanocyclopropanecarbonyl]amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;1-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-6-(3-methyl-2-oxobenzimidazol-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-3H-indol-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-oxo-3H-indol-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 159187018

Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-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-(4-methyl-2H-pyrrol-5-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 3-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-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-(4-methyl-2H-pyrrol-5-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 158245910) is 3-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-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-(4-methyl-2H-pyrrol-5-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 3-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-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-(4-methyl-2H-pyrrol-5-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 3-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-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-(4-methyl-2H-pyrrol-5-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.CC1(C)CN(c2cc(N)c3cnc(NC(=O)C4CC4C#N)cc3c2)C(=O)O1.CC1=CCN=C1c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.CC1CCC(=O)N1c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.CNC(=O)c1ccc(C)c(-c2cc(N)c3cnc(NC(=O)C4CC4C#N)cc3c2)c1.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)c1C#N.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)c1F.
What is the InChIKey of 3-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-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-(4-methyl-2H-pyrrol-5-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 GGCOMIJXJBKKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2.C22H17N5O.C21H17FN4O.C21H23N5O2.C19H19N5O3.C19H19N5O2.C19H17N5O/c1-12-3-4-13(22(29)26-2)6-17(12)14-5-15-9-21(27-11-19(15)20(25)8-14)28-23(30)18-7-16(18)10-24;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;1-11-4-2-3-5-14(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;1-19(2)9-24(18(26)27-19)12-3-10-5-16(22-8-14(10)15(21)6-12)23-17(25)13-4-11(13)7-20;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;1-10-2-3-22-18(10)12-4-11-7-17(23-9-15(11)16(21)6-12)24-19(25)14-5-13(14)8-20/h3-6,8-9,11,16,18H,7,25H2,1-2H3,(H,26,29)(H,27,28,30);2-6,8,11,14,16H,7,25H2,1H3,(H,26,27,28);2-6,8,10,13,15H,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);3,5-6,8,11,13H,4,9,21H2,1-2H3,(H,22,23,25);4,6-7,9-10,12,14H,2-3,5,21H2,1H3,(H,22,23,26);2,4,6-7,9,13-14H,3,5,21H2,1H3,(H,23,24,25).
What are the key properties of 3-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-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-(4-methyl-2H-pyrrol-5-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?
3-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-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-(4-methyl-2H-pyrrol-5-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 2550.87 g/mol, XLogP of 21.85, 23 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,4-dimethylbenzamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-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-(4-methyl-2H-pyrrol-5-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 158245910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).