4-[5-chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile

C24H19ClN6O — CID 118023608

IUPAC4-[5-chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile
SMILESN#CCCCn1c(Cn2c(=O)n(-c3ccncc3)c3ccncc32)cc2cc(Cl)ccc21
InChIInChI=1S/C24H19ClN6O/c25-18-3-4-21-17(13-18)14-20(29(21)12-2-1-8-26)16-30-23-15-28-11-7-22(23)31(24(30)32)19-5-9-27-10-6-19/h3-7,9-11,13-15H,1-2,12,16H2
InChIKeyJIBLKDOXALQLGM-UHFFFAOYSA-N
MW442.91 g/mol
LogP4.54
Rot. Bonds6

About 4-[5-chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile

4-[5-chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile (PubChem CID 118023608) has the molecular formula C24H19ClN6O and a molecular weight of 442.91 g/mol. Its IUPAC name is 4-[5-chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile.

Molecular Properties

Compound Name4-[5-chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile
PubChem CID118023608
Molecular FormulaC24H19ClN6O
Molecular Weight442.91 g/mol
Exact Mass442.13
IUPAC Name4-[5-chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile
SMILESN#CCCCn1c(Cn2c(=O)n(-c3ccncc3)c3ccncc32)cc2cc(Cl)ccc21
InChIInChI=1S/C24H19ClN6O/c25-18-3-4-21-17(13-18)14-20(29(21)12-2-1-8-26)16-30-23-15-28-11-7-22(23)31(24(30)32)19-5-9-27-10-6-19/h3-7,9-11,13-15H,1-2,12,16H2
InChIKeyJIBLKDOXALQLGM-UHFFFAOYSA-N
XLogP4.54
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[5-chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile?
The IUPAC name of 4-[5-chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile (CID 118023608) is 4-[5-chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile.
What is the SMILES notation for 4-[5-chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile?
The canonical SMILES for 4-[5-chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile is N#CCCCn1c(Cn2c(=O)n(-c3ccncc3)c3ccncc32)cc2cc(Cl)ccc21.
What is the InChIKey of 4-[5-chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile?
The InChIKey is JIBLKDOXALQLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O/c25-18-3-4-21-17(13-18)14-20(29(21)12-2-1-8-26)16-30-23-15-28-11-7-22(23)31(24(30)32)19-5-9-27-10-6-19/h3-7,9-11,13-15H,1-2,12,16H2.
What are the key properties of 4-[5-chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile?
4-[5-chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile has a molecular weight of 442.91 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile is sourced from PubChem (CID 118023608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).