4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine

C90H94BrN13O2 — CID 157230541

IUPAC4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
SMILESBrc1cncc2ccccc12.C.CC(=O)Nc1cncc2ccccc12.Cc1ccc(CCC(=O)Cc2cncc3ccccc23)c(N2CCC(C)CC2)n1.Cc1ccc(CN)c(N2CCC(C)CC2)n1.Nc1cncc2ccccc12.c1ccc(C(=Nc2cncc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C25H29N3O.C22H16N2.C13H21N3.C11H10N2O.C9H6BrN.C9H8N2.CH4/c1-18-11-13-28(14-12-18)25-20(8-7-19(2)27-25)9-10-23(29)15-22-17-26-16-21-5-3-4-6-24(21)22;1-3-9-17(10-4-1)22(18-11-5-2-6-12-18)24-21-16-23-15-19-13-7-8-14-20(19)21;1-10-5-7-16(8-6-10)13-12(9-14)4-3-11(2)15-13;1-8(14)13-11-7-12-6-9-4-2-3-5-10(9)11;2*10-9-6-11-5-7-3-1-2-4-8(7)9;/h3-8,16-18H,9-15H2,1-2H3;1-16H;3-4,10H,5-9,14H2,1-2H3;2-7H,1H3,(H,13,14);1-6H;1-6H,10H2;1H4
InChIKeyAUAYDGORHPXHER-UHFFFAOYSA-N
MW1469.73 g/mol
LogP20.05
Rot. Bonds12

About 4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine

4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine (PubChem CID 157230541) has the molecular formula C90H94BrN13O2 and a molecular weight of 1469.73 g/mol. Its IUPAC name is 4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
PubChem CID157230541
Molecular FormulaC90H94BrN13O2
Molecular Weight1469.73 g/mol
Exact Mass1467.68
IUPAC Name4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
SMILESBrc1cncc2ccccc12.C.CC(=O)Nc1cncc2ccccc12.Cc1ccc(CCC(=O)Cc2cncc3ccccc23)c(N2CCC(C)CC2)n1.Cc1ccc(CN)c(N2CCC(C)CC2)n1.Nc1cncc2ccccc12.c1ccc(C(=Nc2cncc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C25H29N3O.C22H16N2.C13H21N3.C11H10N2O.C9H6BrN.C9H8N2.CH4/c1-18-11-13-28(14-12-18)25-20(8-7-19(2)27-25)9-10-23(29)15-22-17-26-16-21-5-3-4-6-24(21)22;1-3-9-17(10-4-1)22(18-11-5-2-6-12-18)24-21-16-23-15-19-13-7-8-14-20(19)21;1-10-5-7-16(8-6-10)13-12(9-14)4-3-11(2)15-13;1-8(14)13-11-7-12-6-9-4-2-3-5-10(9)11;2*10-9-6-11-5-7-3-1-2-4-8(7)9;/h3-8,16-18H,9-15H2,1-2H3;1-16H;3-4,10H,5-9,14H2,1-2H3;2-7H,1H3,(H,13,14);1-6H;1-6H,10H2;1H4
InChIKeyAUAYDGORHPXHER-UHFFFAOYSA-N
XLogP20.05
TPSA207.28 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001469.73
LogP ≤ 520.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine 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-(2-fluorophenyl)-4-phenyl-N,N'-bis[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]pentanediamide
CID 123718005
4-fluoro-N-[8-[4-[[5-[3-[(4-fluorobenzoyl)amino]isoquinolin-6-yl]-3-pyridinyl]amino]-1-methylpiperidin-2-yl]-6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]benzamide
CID 138606165
2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-piperidin-1-yl-3-pyridinyl)acetamide;2-(3-methyl-4-pyridin-3-ylphenyl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 159706389
US20240228490, Example 3
CID 172056513
1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 67026612
1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide
CID 67026613
1-[3-[5-amino-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 67026658
1-[3-[5-amino-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide
CID 67026660
4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide
CID 68733908
2-(3-bromo-5-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)phenyl]propanamide
CID 87554170
2-(4-acetamidophenyl)-3-(4-cyanophenyl)-N,N'-bis[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanediamide
CID 88574281
4-N-(3-bromophenyl)-6-N-butylpyrido[3,4-d]pyrimidine-4,6-diamine;4-methyl-2-[[2-[[4-methyl-2-[[3-phenyl-2-(propan-2-ylcarbamoylamino)propanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-N-(3-oxo-1-phenyloctan-2-yl)pentanamide
CID 91205789

Frequently Asked Questions

What is the IUPAC name of 4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of 4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine (CID 157230541) is 4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for 4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for 4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine is Brc1cncc2ccccc12.C.CC(=O)Nc1cncc2ccccc12.Cc1ccc(CCC(=O)Cc2cncc3ccccc23)c(N2CCC(C)CC2)n1.Cc1ccc(CN)c(N2CCC(C)CC2)n1.Nc1cncc2ccccc12.c1ccc(C(=Nc2cncc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of 4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is AUAYDGORHPXHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O.C22H16N2.C13H21N3.C11H10N2O.C9H6BrN.C9H8N2.CH4/c1-18-11-13-28(14-12-18)25-20(8-7-19(2)27-25)9-10-23(29)15-22-17-26-16-21-5-3-4-6-24(21)22;1-3-9-17(10-4-1)22(18-11-5-2-6-12-18)24-21-16-23-15-19-13-7-8-14-20(19)21;1-10-5-7-16(8-6-10)13-12(9-14)4-3-11(2)15-13;1-8(14)13-11-7-12-6-9-4-2-3-5-10(9)11;2*10-9-6-11-5-7-3-1-2-4-8(7)9;/h3-8,16-18H,9-15H2,1-2H3;1-16H;3-4,10H,5-9,14H2,1-2H3;2-7H,1H3,(H,13,14);1-6H;1-6H,10H2;1H4.
What are the key properties of 4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine?
4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 1469.73 g/mol, XLogP of 20.05, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 157230541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).