cis-(1S,2S)-N-[8-amino-6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(5S)-2-oxo-5-propan-2-ylpyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide

C124H120N32O10 — CID 158674870

IUPACcis-(1S,2S)-N-[8-amino-6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(5S)-2-oxo-5-propan-2-ylpyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCC(C)C1CCC(=O)N1c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3C#N)cc2c1.CC(C)[C@@H]1CCC(=O)N1c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3C#N)cc2c1.CC1(C)CC(=O)N(c2cc(N)c3cnc(NC(=O)[C@H]4C[C@@H]4C#N)cc3c2)C1.Cn1cc2c(-c3cc(N)c4cnc(NC(=O)[C@H]5C[C@@H]5C#N)cc4c3)cccc2n1.Cn1ncc2c(-c3cc(N)c4cnc(NC(=O)[C@H]5C[C@@H]5C#N)cc4c3)cccc21.N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(N3CCCC3=O)cc(N)c2cn1
InChIInChI=1S/2C22H18N6O.2C21H23N5O2.C20H21N5O2.C18H17N5O2/c1-28-11-18-15(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;1-28-20-4-2-3-15(18(20)11-26-28)12-5-13-8-21(25-10-17(13)19(24)7-12)27-22(29)16-6-14(16)9-23;2*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;1-20(2)7-18(26)25(10-20)13-3-11-5-17(23-9-15(11)16(22)6-13)24-19(27)14-4-12(14)8-21;19-8-11-5-13(11)18(25)22-16-6-10-4-12(23-3-1-2-17(23)24)7-15(20)14(10)9-21-16/h2-5,7-8,10-11,14,16H,6,24H2,1H3,(H,25,26,29);2-5,7-8,10-11,14,16H,6,24H2,1H3,(H,25,27,29);2*5,7-8,10-11,13,15,18H,3-4,6,23H2,1-2H3,(H,24,25,28);3,5-6,9,12,14H,4,7,10,22H2,1-2H3,(H,23,24,27);4,6-7,9,11,13H,1-3,5,20H2,(H,21,22,25)/t2*14-,16+;13-,15+,18?;13-,15+,18+;12-,14+;11-,13+/m111111/s1
InChIKeyIEJSXYJDHCKCTB-IFFWYWRFSA-N
MW2218.54 g/mol
LogP17.79
Rot. Bonds20

About cis-(1S,2S)-N-[8-amino-6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(5S)-2-oxo-5-propan-2-ylpyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide

cis-(1S,2S)-N-[8-amino-6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(5S)-2-oxo-5-propan-2-ylpyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 158674870) has the molecular formula C124H120N32O10 and a molecular weight of 2218.54 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(5S)-2-oxo-5-propan-2-ylpyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[8-amino-6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(5S)-2-oxo-5-propan-2-ylpyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
PubChem CID158674870
Molecular FormulaC124H120N32O10
Molecular Weight2218.54 g/mol
Exact Mass2216.99
IUPAC Namecis-(1S,2S)-N-[8-amino-6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(5S)-2-oxo-5-propan-2-ylpyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCC(C)C1CCC(=O)N1c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3C#N)cc2c1.CC(C)[C@@H]1CCC(=O)N1c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3C#N)cc2c1.CC1(C)CC(=O)N(c2cc(N)c3cnc(NC(=O)[C@H]4C[C@@H]4C#N)cc3c2)C1.Cn1cc2c(-c3cc(N)c4cnc(NC(=O)[C@H]5C[C@@H]5C#N)cc4c3)cccc2n1.Cn1ncc2c(-c3cc(N)c4cnc(NC(=O)[C@H]5C[C@@H]5C#N)cc4c3)cccc21.N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(N3CCCC3=O)cc(N)c2cn1
InChIInChI=1S/2C22H18N6O.2C21H23N5O2.C20H21N5O2.C18H17N5O2/c1-28-11-18-15(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;1-28-20-4-2-3-15(18(20)11-26-28)12-5-13-8-21(25-10-17(13)19(24)7-12)27-22(29)16-6-14(16)9-23;2*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;1-20(2)7-18(26)25(10-20)13-3-11-5-17(23-9-15(11)16(22)6-13)24-19(27)14-4-12(14)8-21;19-8-11-5-13(11)18(25)22-16-6-10-4-12(23-3-1-2-17(23)24)7-15(20)14(10)9-21-16/h2-5,7-8,10-11,14,16H,6,24H2,1H3,(H,25,26,29);2-5,7-8,10-11,14,16H,6,24H2,1H3,(H,25,27,29);2*5,7-8,10-11,13,15,18H,3-4,6,23H2,1-2H3,(H,24,25,28);3,5-6,9,12,14H,4,7,10,22H2,1-2H3,(H,23,24,27);4,6-7,9,11,13H,1-3,5,20H2,(H,21,22,25)/t2*14-,16+;13-,15+,18?;13-,15+,18+;12-,14+;11-,13+/m111111/s1
InChIKeyIEJSXYJDHCKCTB-IFFWYWRFSA-N
XLogP17.79
TPSA667.68 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002218.54
LogP ≤ 517.79
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze cis-(1S,2S)-N-[8-amino-6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(5S)-2-oxo-5-propan-2-ylpyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[1-(1-aminoisoquinolin-7-yl)-3-(trifluoromethyl)pyrazol-5-yl]ethanone;2-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;3-[[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-(cyclopropylmethylamino)methyl]benzonitrile;2-(4-aminoquinazolin-6-yl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
CID 158136692
7-cyclopropyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;N-[5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;7-ethenyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;7-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;7-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(1-methylpyrazol-4-yl)-1-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 158178477
1-[5-(1-aminoisoquinolin-7-yl)-1-methylpyrazol-3-yl]-3-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;N-[5-(1-aminoisoquinolin-7-yl)-1-methylpyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;methane;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-[1-methyl-5-(2-methylpyrido[2,3-d]pyrimidin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-[1-methyl-5-(2-methylquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 159369729
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
(4E)-4-[[7-(cyclopropylamino)-5-(N-ethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzonitrile;5-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylbenzonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-(trifluoromethyl)benzonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethyl)benzonitrile
CID 160947693
N-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;N-[5-(1-ethylindol-5-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(1-ethylindol-6-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(2-methylquinolin-6-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(2-methylquinolin-6-yl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide
CID 161829950
(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(7-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(7-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide
CID 167637705
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
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
(1R,2S,3R)-N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;2-[[8-amino-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;trans-(1R,2R)-N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 157088407
(1R,2S,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(2R)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2S)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile
CID 157091398
(1S,2S,3S)-N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;2-[[8-amino-6-[(1S)-1-(2-methylidene-1-pyridinyl)ethyl]-2,7-naphthyridin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(1R)-1-(2-methylidene-1-pyridinyl)ethyl]-2,7-naphthyridin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;bis(cis-(1S,2R)-N-[8-amino-6-(1,1,5-trimethyl-2,3-dihydroinden-4-yl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide)
CID 157182644

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[8-amino-6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(5S)-2-oxo-5-propan-2-ylpyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[8-amino-6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(5S)-2-oxo-5-propan-2-ylpyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 158674870) is cis-(1S,2S)-N-[8-amino-6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(5S)-2-oxo-5-propan-2-ylpyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[8-amino-6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(5S)-2-oxo-5-propan-2-ylpyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[8-amino-6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(5S)-2-oxo-5-propan-2-ylpyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide is CC(C)C1CCC(=O)N1c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3C#N)cc2c1.CC(C)[C@@H]1CCC(=O)N1c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3C#N)cc2c1.CC1(C)CC(=O)N(c2cc(N)c3cnc(NC(=O)[C@H]4C[C@@H]4C#N)cc3c2)C1.Cn1cc2c(-c3cc(N)c4cnc(NC(=O)[C@H]5C[C@@H]5C#N)cc4c3)cccc2n1.Cn1ncc2c(-c3cc(N)c4cnc(NC(=O)[C@H]5C[C@@H]5C#N)cc4c3)cccc21.N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(N3CCCC3=O)cc(N)c2cn1.
What is the InChIKey of cis-(1S,2S)-N-[8-amino-6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(5S)-2-oxo-5-propan-2-ylpyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The InChIKey is IEJSXYJDHCKCTB-IFFWYWRFSA-N. The full InChI is InChI=1S/2C22H18N6O.2C21H23N5O2.C20H21N5O2.C18H17N5O2/c1-28-11-18-15(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;1-28-20-4-2-3-15(18(20)11-26-28)12-5-13-8-21(25-10-17(13)19(24)7-12)27-22(29)16-6-14(16)9-23;2*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;1-20(2)7-18(26)25(10-20)13-3-11-5-17(23-9-15(11)16(22)6-13)24-19(27)14-4-12(14)8-21;19-8-11-5-13(11)18(25)22-16-6-10-4-12(23-3-1-2-17(23)24)7-15(20)14(10)9-21-16/h2-5,7-8,10-11,14,16H,6,24H2,1H3,(H,25,26,29);2-5,7-8,10-11,14,16H,6,24H2,1H3,(H,25,27,29);2*5,7-8,10-11,13,15,18H,3-4,6,23H2,1-2H3,(H,24,25,28);3,5-6,9,12,14H,4,7,10,22H2,1-2H3,(H,23,24,27);4,6-7,9,11,13H,1-3,5,20H2,(H,21,22,25)/t2*14-,16+;13-,15+,18?;13-,15+,18+;12-,14+;11-,13+/m111111/s1.
What are the key properties of cis-(1S,2S)-N-[8-amino-6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(5S)-2-oxo-5-propan-2-ylpyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[8-amino-6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(5S)-2-oxo-5-propan-2-ylpyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 2218.54 g/mol, XLogP of 17.79, 20 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[8-amino-6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylindazol-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxo-5-propan-2-ylpyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[(5S)-2-oxo-5-propan-2-ylpyrrolidin-1-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 158674870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).