1-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-ethylimidazo[4,5-c]pyridin-2-one

C20H16ClFN4O — CID 155550263

IUPAC1-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-ethylimidazo[4,5-c]pyridin-2-one
SMILESCCn1c(=O)n(-c2cc(-c3cc(Cl)ccc3F)ncc2C)c2ccncc21
InChIInChI=1S/C20H16ClFN4O/c1-3-25-19-11-23-7-6-17(19)26(20(25)27)18-9-16(24-10-12(18)2)14-8-13(21)4-5-15(14)22/h4-11H,3H2,1-2H3
InChIKeyLRUKFOLUASRQOW-UHFFFAOYSA-N
MW382.83 g/mol
LogP4.37
Rot. Bonds3

About 1-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-ethylimidazo[4,5-c]pyridin-2-one

1-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-ethylimidazo[4,5-c]pyridin-2-one (PubChem CID 155550263) has the molecular formula C20H16ClFN4O and a molecular weight of 382.83 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-ethylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-ethylimidazo[4,5-c]pyridin-2-one
PubChem CID155550263
Molecular FormulaC20H16ClFN4O
Molecular Weight382.83 g/mol
Exact Mass382.10
IUPAC Name1-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-ethylimidazo[4,5-c]pyridin-2-one
SMILESCCn1c(=O)n(-c2cc(-c3cc(Cl)ccc3F)ncc2C)c2ccncc21
InChIInChI=1S/C20H16ClFN4O/c1-3-25-19-11-23-7-6-17(19)26(20(25)27)18-9-16(24-10-12(18)2)14-8-13(21)4-5-15(14)22/h4-11H,3H2,1-2H3
InChIKeyLRUKFOLUASRQOW-UHFFFAOYSA-N
XLogP4.37
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cfg-920
CID 49871869
2-[1-[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetamide
CID 145925651
5-Chloro-1-(4-fluoro-phenyl)-3-(4-methyl-piperazin-1-yl)-1H-indole
CID 15006415
1-(3-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-propyl)-imidazolidin-2-one
CID 15006460
1-(2-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-3-methyl-imidazolidin-2-one
CID 15006464
4-[5-Chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile
CID 118023157
3-[[5-Chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 140242406
4-[5-Chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile
CID 156010486
3-[[5-Chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 156017198
2-Imidazolidinone,1-[2-[4-[5-chloro-3-(4-fluorophenyl)-1h-indol-1-yl]-1-piperidinyl]ethyl]-
CID 10003405
1-(2-{4-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-1,3-dimethyl-urea
CID 10026395
1-(2-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperazin-1-yl}-ethyl)-imidazolidin-2-one
CID 15006416

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-ethylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-ethylimidazo[4,5-c]pyridin-2-one (CID 155550263) is 1-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-ethylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-ethylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-ethylimidazo[4,5-c]pyridin-2-one is CCn1c(=O)n(-c2cc(-c3cc(Cl)ccc3F)ncc2C)c2ccncc21.
What is the InChIKey of 1-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-ethylimidazo[4,5-c]pyridin-2-one?
The InChIKey is LRUKFOLUASRQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O/c1-3-25-19-11-23-7-6-17(19)26(20(25)27)18-9-16(24-10-12(18)2)14-8-13(21)4-5-15(14)22/h4-11H,3H2,1-2H3.
What are the key properties of 1-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-ethylimidazo[4,5-c]pyridin-2-one?
1-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-ethylimidazo[4,5-c]pyridin-2-one has a molecular weight of 382.83 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-ethylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 155550263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).