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-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)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-(4-methyl-2H-pyrrol-5-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide

C133H118F2N26O10 — CID 160610664

About 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-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)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-(4-methyl-2H-pyrrol-5-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide

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-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)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-(4-methyl-2H-pyrrol-5-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 160610664) has the molecular formula C133H118F2N26O10 and a molecular weight of 2278.57 g/mol. Its IUPAC name is 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-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)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-(4-methyl-2H-pyrrol-5-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 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-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)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-(4-methyl-2H-pyrrol-5-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
• PubChem CID: 160610664
• Molecular Formula: C133H118F2N26O10
• Molecular Weight: 2278.57 g/mol
• Exact Mass: 2276.95
• IUPAC Name: 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-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)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-(4-methyl-2H-pyrrol-5-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
• SMILES: C=C1Nc2cc(C)c(-c3cc(N)c4cnc(NC(=O)C5CC5C#N)cc4c3)cc2O1.CC1=CCN=C1c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.Cc1cc(C(=O)CCC(C)(F)F)ccc1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.Cc1ccccc1-c1cc(N)c2cnc(NC(=O)C3CC3CO)cc2c1.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)c1C#N.N#CC1CC1C(=O)Nc1cc2cc(-c3ccccc3CCO)cc(N)c2cn1
• InChI: InChI=1S/C26H24F2N4O2.C23H19N5O2.C22H17N5O.C22H20N4O2.C21H21N3O2.C19H17N5O/c1-14-7-15(23(33)5-6-26(2,27)28)3-4-19(14)16-8-17-11-24(31-13-21(17)22(30)10-16)32-25(34)20-9-18(20)12-29;1-11-3-20-21(30-12(2)27-20)8-16(11)13-4-14-7-22(26-10-18(14)19(25)6-13)28-23(29)17-5-15(17)9-24;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;23-11-16-8-18(16)22(28)26-21-10-15-7-14(9-20(24)19(15)12-25-21)17-4-2-1-3-13(17)5-6-27;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;1-10-2-3-22-18(10)12-4-11-7-17(23-9-15(11)16(21)6-12)24-19(25)14-5-13(14)8-20/h3-4,7-8,10-11,13,18,20H,5-6,9,30H2,1-2H3,(H,31,32,34);3-4,6-8,10,15,17,27H,2,5,25H2,1H3,(H,26,28,29);2-6,8,11,14,16H,7,25H2,1H3,(H,26,27,28);1-4,7,9-10,12,16,18,27H,5-6,8,24H2,(H,25,26,28);2-6,8-10,15,17,25H,7,11,22H2,1H3,(H,23,24,26);2,4,6-7,9,13-14H,3,5,21H2,1H3,(H,23,24,25)
• InChIKey: RFLWXWNBGLPIHO-UHFFFAOYSA-N
• XLogP: 22.58
• TPSA: 641.95 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2278.57
LogP ≤ 5	22.58
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)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-(4-methyl-2H-pyrrol-5-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?

The IUPAC name of 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-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)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-(4-methyl-2H-pyrrol-5-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 160610664) is 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-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)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-(4-methyl-2H-pyrrol-5-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide.

What is the SMILES notation for 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-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)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-(4-methyl-2H-pyrrol-5-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?

The canonical SMILES for 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-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)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-(4-methyl-2H-pyrrol-5-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide is C=C1Nc2cc(C)c(-c3cc(N)c4cnc(NC(=O)C5CC5C#N)cc4c3)cc2O1.CC1=CCN=C1c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.Cc1cc(C(=O)CCC(C)(F)F)ccc1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.Cc1ccccc1-c1cc(N)c2cnc(NC(=O)C3CC3CO)cc2c1.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)c1C#N.N#CC1CC1C(=O)Nc1cc2cc(-c3ccccc3CCO)cc(N)c2cn1.

What is the InChIKey of 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-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)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-(4-methyl-2H-pyrrol-5-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?

The InChIKey is RFLWXWNBGLPIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2.C23H19N5O2.C22H17N5O.C22H20N4O2.C21H21N3O2.C19H17N5O/c1-14-7-15(23(33)5-6-26(2,27)28)3-4-19(14)16-8-17-11-24(31-13-21(17)22(30)10-16)32-25(34)20-9-18(20)12-29;1-11-3-20-21(30-12(2)27-20)8-16(11)13-4-14-7-22(26-10-18(14)19(25)6-13)28-23(29)17-5-15(17)9-24;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;23-11-16-8-18(16)22(28)26-21-10-15-7-14(9-20(24)19(15)12-25-21)17-4-2-1-3-13(17)5-6-27;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;1-10-2-3-22-18(10)12-4-11-7-17(23-9-15(11)16(21)6-12)24-19(25)14-5-13(14)8-20/h3-4,7-8,10-11,13,18,20H,5-6,9,30H2,1-2H3,(H,31,32,34);3-4,6-8,10,15,17,27H,2,5,25H2,1H3,(H,26,28,29);2-6,8,11,14,16H,7,25H2,1H3,(H,26,27,28);1-4,7,9-10,12,16,18,27H,5-6,8,24H2,(H,25,26,28);2-6,8-10,15,17,25H,7,11,22H2,1H3,(H,23,24,26);2,4,6-7,9,13-14H,3,5,21H2,1H3,(H,23,24,25).

What are the key properties of 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-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)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-(4-methyl-2H-pyrrol-5-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?

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-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)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-(4-methyl-2H-pyrrol-5-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 2278.57 g/mol, XLogP of 22.58, 25 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)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-(4-methyl-2H-pyrrol-5-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 160610664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).