3-[(5-chloro-1-ethylindol-2-yl)methyl]-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-one

C24H21ClN4O — CID 123172244

IUPAC3-[(5-chloro-1-ethylindol-2-yl)methyl]-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-one
SMILESCCn1c(Cn2c(=O)n(-c3ccc(C)cc3)c3ccncc32)cc2cc(Cl)ccc21
InChIInChI=1S/C24H21ClN4O/c1-3-27-20(13-17-12-18(25)6-9-21(17)27)15-28-23-14-26-11-10-22(23)29(24(28)30)19-7-4-16(2)5-8-19/h4-14H,3,15H2,1-2H3
InChIKeyPXGSSZOSZPUXPM-UHFFFAOYSA-N
MW416.91 g/mol
LogP5.17
Rot. Bonds4

About 3-[(5-chloro-1-ethylindol-2-yl)methyl]-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-one

3-[(5-chloro-1-ethylindol-2-yl)methyl]-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-one (PubChem CID 123172244) has the molecular formula C24H21ClN4O and a molecular weight of 416.91 g/mol. Its IUPAC name is 3-[(5-chloro-1-ethylindol-2-yl)methyl]-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[(5-chloro-1-ethylindol-2-yl)methyl]-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-one
PubChem CID123172244
Molecular FormulaC24H21ClN4O
Molecular Weight416.91 g/mol
Exact Mass416.14
IUPAC Name3-[(5-chloro-1-ethylindol-2-yl)methyl]-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-one
SMILESCCn1c(Cn2c(=O)n(-c3ccc(C)cc3)c3ccncc32)cc2cc(Cl)ccc21
InChIInChI=1S/C24H21ClN4O/c1-3-27-20(13-17-12-18(25)6-9-21(17)27)15-28-23-14-26-11-10-22(23)29(24(28)30)19-7-4-16(2)5-8-19/h4-14H,3,15H2,1-2H3
InChIKeyPXGSSZOSZPUXPM-UHFFFAOYSA-N
XLogP5.17
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-chloro-2-[[1-[4-(2-methoxyethoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile
CID 118022793
3-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one
CID 90027867
3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one
CID 72703343
2-(5-chloro-1-ethylindol-2-yl)ethanol
CID 117121550
3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-2-one
CID 161496585
1-(5-chloro-1-ethylindol-2-yl)propan-2-ol
CID 117121551
5-chloro-1-ethyl-2-(phenoxymethyl)indole
CID 117177204
3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one
CID 72703564
1-(5-chloro-1-ethylindol-2-yl)ethanone
CID 117121607
3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine
CID 138566817
1'-[[5-chloro-1-(3-methylsulfinylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 86294229
3-(4-chlorophenyl)-1-ethyl-7-(pyridin-4-ylmethyl)purine-2,6-dione
CID 42863128

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1-ethylindol-2-yl)methyl]-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[(5-chloro-1-ethylindol-2-yl)methyl]-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-one (CID 123172244) is 3-[(5-chloro-1-ethylindol-2-yl)methyl]-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[(5-chloro-1-ethylindol-2-yl)methyl]-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[(5-chloro-1-ethylindol-2-yl)methyl]-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-one is CCn1c(Cn2c(=O)n(-c3ccc(C)cc3)c3ccncc32)cc2cc(Cl)ccc21.
What is the InChIKey of 3-[(5-chloro-1-ethylindol-2-yl)methyl]-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-one?
The InChIKey is PXGSSZOSZPUXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O/c1-3-27-20(13-17-12-18(25)6-9-21(17)27)15-28-23-14-26-11-10-22(23)29(24(28)30)19-7-4-16(2)5-8-19/h4-14H,3,15H2,1-2H3.
What are the key properties of 3-[(5-chloro-1-ethylindol-2-yl)methyl]-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-one?
3-[(5-chloro-1-ethylindol-2-yl)methyl]-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 416.91 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1-ethylindol-2-yl)methyl]-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 123172244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).