3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one

C19H19ClN4O3S — CID 123427319

IUPAC3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one
SMILESCS(=O)(=O)CCCn1c(Cn2c(=O)[nH]c3ccncc32)cc2cc(Cl)ccc21
InChIInChI=1S/C19H19ClN4O3S/c1-28(26,27)8-2-7-23-15(10-13-9-14(20)3-4-17(13)23)12-24-18-11-21-6-5-16(18)22-19(24)25/h3-6,9-11H,2,7-8,12H2,1H3,(H,22,25)
InChIKeyYHYFBQUIUGXQSQ-UHFFFAOYSA-N
MW418.91 g/mol
LogP2.82
Rot. Bonds6

About 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one

3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one (PubChem CID 123427319) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one
PubChem CID123427319
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one
SMILESCS(=O)(=O)CCCn1c(Cn2c(=O)[nH]c3ccncc32)cc2cc(Cl)ccc21
InChIInChI=1S/C19H19ClN4O3S/c1-28(26,27)8-2-7-23-15(10-13-9-14(20)3-4-17(13)23)12-24-18-11-21-6-5-16(18)22-19(24)25/h3-6,9-11H,2,7-8,12H2,1H3,(H,22,25)
InChIKeyYHYFBQUIUGXQSQ-UHFFFAOYSA-N
XLogP2.82
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one 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 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one (CID 123427319) is 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one is CS(=O)(=O)CCCn1c(Cn2c(=O)[nH]c3ccncc32)cc2cc(Cl)ccc21.
What is the InChIKey of 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is YHYFBQUIUGXQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-28(26,27)8-2-7-23-15(10-13-9-14(20)3-4-17(13)23)12-24-18-11-21-6-5-16(18)22-19(24)25/h3-6,9-11H,2,7-8,12H2,1H3,(H,22,25).
What are the key properties of 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one?
3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 418.91 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 123427319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).