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

C66H68N12O3 — CID 162263736

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;methane
SMILESC.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.Nc1cc(-c2cccc3c2CCN3)cc2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/2C22H22N4O.C21H20N4O.CH4/c2*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;/h2*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);1H4/t2*12-;;/m10../s1
InChIKeyZZPMNFYKASKDHS-VUIMEFRESA-N
MW1077.35 g/mol
LogP12.81
Rot. Bonds9

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;methane

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 (PubChem CID 162263736) has the molecular formula C66H68N12O3 and a molecular weight of 1077.35 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;methane.

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;methane
PubChem CID162263736
Molecular FormulaC66H68N12O3
Molecular Weight1077.35 g/mol
Exact Mass1076.55
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;methane
SMILESC.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.Nc1cc(-c2cccc3c2CCN3)cc2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/2C22H22N4O.C21H20N4O.CH4/c2*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;/h2*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);1H4/t2*12-;;/m10../s1
InChIKeyZZPMNFYKASKDHS-VUIMEFRESA-N
XLogP12.81
TPSA240.12 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001077.35
LogP ≤ 512.81
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

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;methane with MolForge

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Related Compounds

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-(2,3-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
N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 142448011
N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 142447326
cis-(1S,2S)-N-[2-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 163252607
N-[8-amino-6-[6-(difluoromethoxy)-4-ethyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 142448132
4-[2-[[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-oxoethylidene]-N-cyclobutylcyclohexane-1-carboxamide
CID 155478676
cis-(1R,2R)-N-(8-amino-6-phenylisoquinolin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 159956287
N-(8-amino-6-pyridin-3-yl-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 142447490
N-[8-amino-6-[4-(hydroxymethyl)-2-methyl-1-azabicyclo[3.1.0]hexa-2,4-dien-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 142448172
cis-(1S,2S)-N-(8-amino-6-pyridin-3-ylisoquinolin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 135343190
N-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl)cyclopropanecarboxamide
CID 130248398

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;methane?
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;methane (CID 162263736) 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;methane.
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;methane?
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;methane is C.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.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;methane?
The InChIKey is ZZPMNFYKASKDHS-VUIMEFRESA-N. The full InChI is InChI=1S/2C22H22N4O.C21H20N4O.CH4/c2*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;/h2*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);1H4/t2*12-;;/m10../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;methane?
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 has a molecular weight of 1077.35 g/mol, XLogP of 12.81, 9 rotatable bonds, 9 hydrogen bond donors, and 12 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;methane is sourced from PubChem (CID 162263736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).