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

C151H129F5N34O8 — CID 159872154

IUPACN-[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
SMILESC=C1C=CN(C)C(c2cc(N)c3cnc(NC(=O)C4CC4C#N)cc3c2)=C1.CC(C)c1ccccc1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.Cc1cc(C(=O)CCC(C)(F)F)ccc1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)c1C#N.Cn1cc2c(-c3cc(N)c4cnc(NC(=O)C5CC5C#N)cc4c3)cccc2n1.N#CC1CC1C(=O)Nc1cc2cc(-c3cc[nH]c3)cc(N)c2cn1.N#CC1CC1C(=O)Nc1cc2cc(C3=CCN=C3C(F)(F)F)cc(N)c2cn1
InChIInChI=1S/C26H24F2N4O2.C23H22N4O.C22H18N6O.C22H17N5O.C21H19N5O.C19H14F3N5O.C18H15N5O/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;1-13(2)17-5-3-4-6-18(17)14-7-15-10-22(26-12-20(15)21(25)9-14)27-23(28)19-8-16(19)11-24;1-28-11-18-15(3-2-4-20(18)27-28)12-5-13-8-21(25-10-17(13)19(24)7-12)26-22(29)16-6-14(16)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;1-12-3-4-26(2)19(5-12)14-6-13-9-20(24-11-17(13)18(23)8-14)25-21(27)16-7-15(16)10-22;20-19(21,22)17-12(1-2-25-17)9-3-10-6-16(26-8-14(10)15(24)5-9)27-18(28)13-4-11(13)7-23;19-7-13-4-14(13)18(24)23-17-6-12-3-11(10-1-2-21-8-10)5-16(20)15(12)9-22-17/h3-4,7-8,10-11,13,18,20H,5-6,9,30H2,1-2H3,(H,31,32,34);3-7,9-10,12-13,16,19H,8,25H2,1-2H3,(H,26,27,28);2-5,7-8,10-11,14,16H,6,24H2,1H3,(H,25,26,29);2-6,8,11,14,16H,7,25H2,1H3,(H,26,27,28);3-6,8-9,11,15-16H,1,7,23H2,2H3,(H,24,25,27);1,3,5-6,8,11,13H,2,4,24H2,(H,26,27,28);1-3,5-6,8-9,13-14,21H,4,20H2,(H,22,23,24)
InChIKeyNSMIUAVUBBZLFF-UHFFFAOYSA-N
MW2642.91 g/mol
LogP26.94
Rot. Bonds26

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-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

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 (PubChem CID 159872154) has the molecular formula C151H129F5N34O8 and a molecular weight of 2642.91 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-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.

Molecular Properties

Compound NameN-[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
PubChem CID159872154
Molecular FormulaC151H129F5N34O8
Molecular Weight2642.91 g/mol
Exact Mass2641.07
IUPAC NameN-[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
SMILESC=C1C=CN(C)C(c2cc(N)c3cnc(NC(=O)C4CC4C#N)cc3c2)=C1.CC(C)c1ccccc1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.Cc1cc(C(=O)CCC(C)(F)F)ccc1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)c1C#N.Cn1cc2c(-c3cc(N)c4cnc(NC(=O)C5CC5C#N)cc4c3)cccc2n1.N#CC1CC1C(=O)Nc1cc2cc(-c3cc[nH]c3)cc(N)c2cn1.N#CC1CC1C(=O)Nc1cc2cc(C3=CCN=C3C(F)(F)F)cc(N)c2cn1
InChIInChI=1S/C26H24F2N4O2.C23H22N4O.C22H18N6O.C22H17N5O.C21H19N5O.C19H14F3N5O.C18H15N5O/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;1-13(2)17-5-3-4-6-18(17)14-7-15-10-22(26-12-20(15)21(25)9-14)27-23(28)19-8-16(19)11-24;1-28-11-18-15(3-2-4-20(18)27-28)12-5-13-8-21(25-10-17(13)19(24)7-12)26-22(29)16-6-14(16)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;1-12-3-4-26(2)19(5-12)14-6-13-9-20(24-11-17(13)18(23)8-14)25-21(27)16-7-15(16)10-22;20-19(21,22)17-12(1-2-25-17)9-3-10-6-16(26-8-14(10)15(24)5-9)27-18(28)13-4-11(13)7-23;19-7-13-4-14(13)18(24)23-17-6-12-3-11(10-1-2-21-8-10)5-16(20)15(12)9-22-17/h3-4,7-8,10-11,13,18,20H,5-6,9,30H2,1-2H3,(H,31,32,34);3-7,9-10,12-13,16,19H,8,25H2,1-2H3,(H,26,27,28);2-5,7-8,10-11,14,16H,6,24H2,1H3,(H,25,26,29);2-6,8,11,14,16H,7,25H2,1H3,(H,26,27,28);3-6,8-9,11,15-16H,1,7,23H2,2H3,(H,24,25,27);1,3,5-6,8,11,13H,2,4,24H2,(H,26,27,28);1-3,5-6,8-9,13-14,21H,4,20H2,(H,22,23,24)
InChIKeyNSMIUAVUBBZLFF-UHFFFAOYSA-N
XLogP26.94
TPSA732.67 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds26
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002642.91
LogP ≤ 526.94
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-[8-amino-6-(2-methylpyrazolo[3,4-c]pyridin-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylpyrazolo[3,4-c]pyridin-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylpyrazolo[3,4-c]pyridin-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 159760819
N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide;bis(N-(8-amino-7-methylisoquinolin-3-yl)cyclopropanecarboxamide);N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 161325599
N-[8-amino-6-(2-cyano-6-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 140921627
cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 161200786
cis-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 158323167
N-[8-amino-6-[4-methyl-5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135342904
N-[8-amino-6-(3-ethyl-1-methyl-6-oxo-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135342493
cis-(1R,2R)-N-[8-amino-6-(3-ethyl-1-methyl-6-oxo-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135343613
N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;(2S)-N-[8-amino-6-(2-propan-2-yl-1H-pyrrol-3-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(1H-pyrrol-3-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-propan-2-yl-1H-pyrrol-3-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrrol-3-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 158707150
N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135342405
(1S,2S,3R)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide
CID 157219996
N-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;(2R)-N-[8-amino-6-[4-methyl-5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-6-[2-methyl-6-(1-methylpyrazol-4-yl)phenyl]isoquinolin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 160706748

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-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?
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-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) 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-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.
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-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?
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-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 is C=C1C=CN(C)C(c2cc(N)c3cnc(NC(=O)C4CC4C#N)cc3c2)=C1.CC(C)c1ccccc1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.Cc1cc(C(=O)CCC(C)(F)F)ccc1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)c1C#N.Cn1cc2c(-c3cc(N)c4cnc(NC(=O)C5CC5C#N)cc4c3)cccc2n1.N#CC1CC1C(=O)Nc1cc2cc(-c3cc[nH]c3)cc(N)c2cn1.N#CC1CC1C(=O)Nc1cc2cc(C3=CCN=C3C(F)(F)F)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-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?
The InChIKey is NSMIUAVUBBZLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2.C23H22N4O.C22H18N6O.C22H17N5O.C21H19N5O.C19H14F3N5O.C18H15N5O/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;1-13(2)17-5-3-4-6-18(17)14-7-15-10-22(26-12-20(15)21(25)9-14)27-23(28)19-8-16(19)11-24;1-28-11-18-15(3-2-4-20(18)27-28)12-5-13-8-21(25-10-17(13)19(24)7-12)26-22(29)16-6-14(16)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;1-12-3-4-26(2)19(5-12)14-6-13-9-20(24-11-17(13)18(23)8-14)25-21(27)16-7-15(16)10-22;20-19(21,22)17-12(1-2-25-17)9-3-10-6-16(26-8-14(10)15(24)5-9)27-18(28)13-4-11(13)7-23;19-7-13-4-14(13)18(24)23-17-6-12-3-11(10-1-2-21-8-10)5-16(20)15(12)9-22-17/h3-4,7-8,10-11,13,18,20H,5-6,9,30H2,1-2H3,(H,31,32,34);3-7,9-10,12-13,16,19H,8,25H2,1-2H3,(H,26,27,28);2-5,7-8,10-11,14,16H,6,24H2,1H3,(H,25,26,29);2-6,8,11,14,16H,7,25H2,1H3,(H,26,27,28);3-6,8-9,11,15-16H,1,7,23H2,2H3,(H,24,25,27);1,3,5-6,8,11,13H,2,4,24H2,(H,26,27,28);1-3,5-6,8-9,13-14,21H,4,20H2,(H,22,23,24).
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-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?
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 has a molecular weight of 2642.91 g/mol, XLogP of 26.94, 26 rotatable bonds, 15 hydrogen bond donors, and 34 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-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 is sourced from PubChem (CID 159872154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).