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

C105H91FN28O7 — CID 157191615

About 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

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 (PubChem CID 157191615) has the molecular formula C105H91FN28O7 and a molecular weight of 1876.07 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157191615
• Molecular Formula: C105H91FN28O7
• Molecular Weight: 1876.07 g/mol
• Exact Mass: 1874.76
• IUPAC Name: 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
• SMILES: CC1CCC(=O)N1c1cc(N)c2cnc(NC(=O)C3CC3F)cc2c1.CNC(=O)c1cc(-c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@H]4C#N)cc3c2)n(C)n1.Cc1c(-c2cc(N)c3cnc(NC(=O)C4CC4C#N)cc3c2)cnc2cccnc12.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C#N)ncc2c(N)c1C#N.Cc1cn2ccnc2cc1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3C#N)cc2c1
• InChI: InChI=1S/C23H18N6O.C22H18N6O.C22H17N5O.C20H19N7O2.C18H19FN4O2/c1-12-17(10-27-20-3-2-4-26-22(12)20)13-5-14-8-21(28-11-18(14)19(25)7-13)29-23(30)16-6-15(16)9-24;1-12-11-28-3-2-25-21(28)8-16(12)13-4-14-7-20(26-10-18(14)19(24)6-13)27-22(29)17-5-15(17)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;1-23-20(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;1-9-2-3-17(24)23(9)11-4-10-5-16(21-8-13(10)15(20)6-11)22-18(25)12-7-14(12)19/h2-5,7-8,10-11,15-16H,6,25H2,1H3,(H,28,29,30);2-4,6-8,10-11,15,17H,5,24H2,1H3,(H,26,27,29);2-6,8,11,14,16H,7,25H2,1H3,(H,26,27,28);3,5-7,9,12-13H,4,22H2,1-2H3,(H,23,29)(H,24,25,28);4-6,8-9,12,14H,2-3,7,20H2,1H3,(H,21,22,25)/t;15-,17+;14-,16+;12-,13+;/m.110./s1
• InChIKey: APTLQGAHXSSDPS-ZJHFDQQCSA-N
• XLogP: 15.44
• TPSA: 569.31 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1876.07
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1CCC(=O)N1c1cc(N)c2cnc(NC(=O)C3CC3F)cc2c1.CNC(=O)c1cc(-c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@H]4C#N)cc3c2)n(C)n1.Cc1c(-c2cc(N)c3cnc(NC(=O)C4CC4C#N)cc3c2)cnc2cccnc12.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C#N)ncc2c(N)c1C#N.Cc1cn2ccnc2cc1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3C#N)cc2c1.

What is the InChIKey of 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?

The InChIKey is APTLQGAHXSSDPS-ZJHFDQQCSA-N. The full InChI is InChI=1S/C23H18N6O.C22H18N6O.C22H17N5O.C20H19N7O2.C18H19FN4O2/c1-12-17(10-27-20-3-2-4-26-22(12)20)13-5-14-8-21(28-11-18(14)19(25)7-13)29-23(30)16-6-15(16)9-24;1-12-11-28-3-2-25-21(28)8-16(12)13-4-14-7-20(26-10-18(14)19(24)6-13)27-22(29)17-5-15(17)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;1-23-20(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;1-9-2-3-17(24)23(9)11-4-10-5-16(21-8-13(10)15(20)6-11)22-18(25)12-7-14(12)19/h2-5,7-8,10-11,15-16H,6,25H2,1H3,(H,28,29,30);2-4,6-8,10-11,15,17H,5,24H2,1H3,(H,26,27,29);2-6,8,11,14,16H,7,25H2,1H3,(H,26,27,28);3,5-7,9,12-13H,4,22H2,1-2H3,(H,23,29)(H,24,25,28);4-6,8-9,12,14H,2-3,7,20H2,1H3,(H,21,22,25)/t;15-,17+;14-,16+;12-,13+;/m.110./s1.

What are the key properties of 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?

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 has a molecular weight of 1876.07 g/mol, XLogP of 15.44, 16 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157191615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).