6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile

C31H25ClN4O2 — CID 10506173

IUPAC6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile
SMILESCOc1cc2c(C(C)=O)c(C)n(-c3ccc(C)cc3)c2cc1-c1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1
InChIInChI=1S/C31H25ClN4O2/c1-17-5-11-22(12-6-17)36-18(2)30(19(3)37)25-15-29(38-4)24(14-28(25)36)27-13-23(26(16-33)31(34)35-27)20-7-9-21(32)10-8-20/h5-15H,1-4H3,(H2,34,35)
InChIKeyMVNWSSLXPYZLPJ-UHFFFAOYSA-N
MW521.02 g/mol
LogP7.29
Rot. Bonds5

About 6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile

6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile (PubChem CID 10506173) has the molecular formula C31H25ClN4O2 and a molecular weight of 521.02 g/mol. Its IUPAC name is 6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile
PubChem CID10506173
Molecular FormulaC31H25ClN4O2
Molecular Weight521.02 g/mol
Exact Mass520.17
IUPAC Name6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile
SMILESCOc1cc2c(C(C)=O)c(C)n(-c3ccc(C)cc3)c2cc1-c1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1
InChIInChI=1S/C31H25ClN4O2/c1-17-5-11-22(12-6-17)36-18(2)30(19(3)37)25-15-29(38-4)24(14-28(25)36)27-13-23(26(16-33)31(34)35-27)20-7-9-21(32)10-8-20/h5-15H,1-4H3,(H2,34,35)
InChIKeyMVNWSSLXPYZLPJ-UHFFFAOYSA-N
XLogP7.29
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.02
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile 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-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile
CID 3379851
1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone
CID 14920247
N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide
CID 5153682
1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone
CID 71739648
methyl 4-[2-amino-3-cyano-6-(2,4-dimethylphenyl)-4-pyridinyl]benzoate
CID 3470406
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
2-amino-6-(2-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119022
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 136691533
2-amino-4-(4-chlorophenyl)-6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylpyridine-3,5-dicarbonitrile
CID 58739529
2-amino-4-(3-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3825642
2-amino-6-(3,4-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3502077

Frequently Asked Questions

What is the IUPAC name of 6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile (CID 10506173) is 6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile is COc1cc2c(C(C)=O)c(C)n(-c3ccc(C)cc3)c2cc1-c1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1.
What is the InChIKey of 6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile?
The InChIKey is MVNWSSLXPYZLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClN4O2/c1-17-5-11-22(12-6-17)36-18(2)30(19(3)37)25-15-29(38-4)24(14-28(25)36)27-13-23(26(16-33)31(34)35-27)20-7-9-21(32)10-8-20/h5-15H,1-4H3,(H2,34,35).
What are the key properties of 6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile?
6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile has a molecular weight of 521.02 g/mol, XLogP of 7.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10506173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).