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

C138H136N30O6 — CID 160706748

IUPACN-[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
SMILESC[C@@H]1Cc2c(cccc2-c2cc(N)c3cnc(NC(=O)C4CC4)cc3c2)N1.C[C@H]1Cc2c(cccc2-c2cc(N)c3cnc(NC(=O)C4CC4)cc3c2)N1.Cc1c(N)cccc1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1.Cc1c(NC(C)C)cncc1-c1cc(N)c2cnc(NC(=O)C3C[C@H]3C#N)cc2c1.Cc1cccc(-c2cnn(C)c2)c1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3CC#N)cc2c1.Nc1cc(-c2cccc3c2CCN3)cc2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C26H24N6O.C24H24N6O.C23H24N6O.2C22H22N4O.C21H20N4O/c1-15-4-3-5-20(19-12-30-32(2)14-19)25(15)18-8-17-11-24(29-13-22(17)23(28)10-18)31-26(33)21-9-16(21)6-7-27;1-13-17(4-3-5-21(13)25)14-6-15-8-23(27-11-20(15)22(26)7-14)29-24(31)19-9-18(19)16-10-28-30(2)12-16;1-12(2)28-21-11-26-9-18(13(21)3)14-4-15-7-22(27-10-19(15)20(25)6-14)29-23(30)17-5-16(17)8-24;2*1-12-7-17-16(3-2-4-20(17)25-12)14-8-15-10-21(26-22(27)13-5-6-13)24-11-18(15)19(23)9-14;22-18-9-13(15-2-1-3-19-16(15)6-7-23-19)8-14-10-20(24-11-17(14)18)25-21(26)12-4-5-12/h3-5,8,10-14,16,21H,6,9,28H2,1-2H3,(H,29,31,33);3-8,10-12,18-19H,9,25-26H2,1-2H3,(H,27,29,31);4,6-7,9-12,16-17,28H,5,25H2,1-3H3,(H,27,29,30);2*2-4,8-13,25H,5-7,23H2,1H3,(H,24,26,27);1-3,8-12,23H,4-7,22H2,(H,24,25,26)/t16-,21-;18-,19+;16-,17?;2*12-;/m01010./s1
InChIKeyRRICBNXNAZCINC-WGLVFBBUSA-N
MW2310.81 g/mol
LogP24.82
Rot. Bonds23

About 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

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 (PubChem CID 160706748) has the molecular formula C138H136N30O6 and a molecular weight of 2310.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID160706748
Molecular FormulaC138H136N30O6
Molecular Weight2310.81 g/mol
Exact Mass2309.13
IUPAC NameN-[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
SMILESC[C@@H]1Cc2c(cccc2-c2cc(N)c3cnc(NC(=O)C4CC4)cc3c2)N1.C[C@H]1Cc2c(cccc2-c2cc(N)c3cnc(NC(=O)C4CC4)cc3c2)N1.Cc1c(N)cccc1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1.Cc1c(NC(C)C)cncc1-c1cc(N)c2cnc(NC(=O)C3C[C@H]3C#N)cc2c1.Cc1cccc(-c2cnn(C)c2)c1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3CC#N)cc2c1.Nc1cc(-c2cccc3c2CCN3)cc2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C26H24N6O.C24H24N6O.C23H24N6O.2C22H22N4O.C21H20N4O/c1-15-4-3-5-20(19-12-30-32(2)14-19)25(15)18-8-17-11-24(29-13-22(17)23(28)10-18)31-26(33)21-9-16(21)6-7-27;1-13-17(4-3-5-21(13)25)14-6-15-8-23(27-11-20(15)22(26)7-14)29-24(31)19-9-18(19)16-10-28-30(2)12-16;1-12(2)28-21-11-26-9-18(13(21)3)14-4-15-7-22(27-10-19(15)20(25)6-14)29-23(30)17-5-16(17)8-24;2*1-12-7-17-16(3-2-4-20(17)25-12)14-8-15-10-21(26-22(27)13-5-6-13)24-11-18(15)19(23)9-14;22-18-9-13(15-2-1-3-19-16(15)6-7-23-19)8-14-10-20(24-11-17(14)18)25-21(26)12-4-5-12/h3-5,8,10-14,16,21H,6,9,28H2,1-2H3,(H,29,31,33);3-8,10-12,18-19H,9,25-26H2,1-2H3,(H,27,29,31);4,6-7,9-12,16-17,28H,5,25H2,1-3H3,(H,27,29,30);2*2-4,8-13,25H,5-7,23H2,1H3,(H,24,26,27);1-3,8-12,23H,4-7,22H2,(H,24,25,26)/t16-,21-;18-,19+;16-,17?;2*12-;/m01010./s1
InChIKeyRRICBNXNAZCINC-WGLVFBBUSA-N
XLogP24.82
TPSA578.31 Ų
H-Bond Donors17
H-Bond Acceptors30
Rotatable Bonds23
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002310.81
LogP ≤ 524.82
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 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 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

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-(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;methane
CID 162263736
cis-(1R,2S)-N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135343553
N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 135342445
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-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-(1R,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135344871
N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135344868
(1S)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 175483260
cis-(1S,2S)-N-[8-amino-6-(4-prop-2-enyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 142448054
cis-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 158323167

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1Cc2c(cccc2-c2cc(N)c3cnc(NC(=O)C4CC4)cc3c2)N1.C[C@H]1Cc2c(cccc2-c2cc(N)c3cnc(NC(=O)C4CC4)cc3c2)N1.Cc1c(N)cccc1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1.Cc1c(NC(C)C)cncc1-c1cc(N)c2cnc(NC(=O)C3C[C@H]3C#N)cc2c1.Cc1cccc(-c2cnn(C)c2)c1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3CC#N)cc2c1.Nc1cc(-c2cccc3c2CCN3)cc2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of 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?
The InChIKey is RRICBNXNAZCINC-WGLVFBBUSA-N. The full InChI is InChI=1S/C26H24N6O.C24H24N6O.C23H24N6O.2C22H22N4O.C21H20N4O/c1-15-4-3-5-20(19-12-30-32(2)14-19)25(15)18-8-17-11-24(29-13-22(17)23(28)10-18)31-26(33)21-9-16(21)6-7-27;1-13-17(4-3-5-21(13)25)14-6-15-8-23(27-11-20(15)22(26)7-14)29-24(31)19-9-18(19)16-10-28-30(2)12-16;1-12(2)28-21-11-26-9-18(13(21)3)14-4-15-7-22(27-10-19(15)20(25)6-14)29-23(30)17-5-16(17)8-24;2*1-12-7-17-16(3-2-4-20(17)25-12)14-8-15-10-21(26-22(27)13-5-6-13)24-11-18(15)19(23)9-14;22-18-9-13(15-2-1-3-19-16(15)6-7-23-19)8-14-10-20(24-11-17(14)18)25-21(26)12-4-5-12/h3-5,8,10-14,16,21H,6,9,28H2,1-2H3,(H,29,31,33);3-8,10-12,18-19H,9,25-26H2,1-2H3,(H,27,29,31);4,6-7,9-12,16-17,28H,5,25H2,1-3H3,(H,27,29,30);2*2-4,8-13,25H,5-7,23H2,1H3,(H,24,26,27);1-3,8-12,23H,4-7,22H2,(H,24,25,26)/t16-,21-;18-,19+;16-,17?;2*12-;/m01010./s1.
What are the key properties of 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?
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 has a molecular weight of 2310.81 g/mol, XLogP of 24.82, 23 rotatable bonds, 17 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160706748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).