6-(3-chloro-4-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one

C18H11ClFN3O2S — CID 134493909

IUPAC6-(3-chloro-4-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=C(Cn1c(=O)[nH]c2ncc(-c3ccc(F)c(Cl)c3)cc21)c1cccs1
InChIInChI=1S/C18H11ClFN3O2S/c19-12-6-10(3-4-13(12)20)11-7-14-17(21-8-11)22-18(25)23(14)9-15(24)16-2-1-5-26-16/h1-8H,9H2,(H,21,22,25)
InChIKeyAIGPRXBLOOQCFJ-UHFFFAOYSA-N
MW387.82 g/mol
LogP4.13
Rot. Bonds4

About 6-(3-chloro-4-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one

6-(3-chloro-4-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493909) has the molecular formula C18H11ClFN3O2S and a molecular weight of 387.82 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493909
Molecular FormulaC18H11ClFN3O2S
Molecular Weight387.82 g/mol
Exact Mass387.02
IUPAC Name6-(3-chloro-4-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=C(Cn1c(=O)[nH]c2ncc(-c3ccc(F)c(Cl)c3)cc21)c1cccs1
InChIInChI=1S/C18H11ClFN3O2S/c19-12-6-10(3-4-13(12)20)11-7-14-17(21-8-11)22-18(25)23(14)9-15(24)16-2-1-5-26-16/h1-8H,9H2,(H,21,22,25)
InChIKeyAIGPRXBLOOQCFJ-UHFFFAOYSA-N
XLogP4.13
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-chloro-4-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]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 6-(3-chloro-4-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 134493909) is 6-(3-chloro-4-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one is O=C(Cn1c(=O)[nH]c2ncc(-c3ccc(F)c(Cl)c3)cc21)c1cccs1.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is AIGPRXBLOOQCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3O2S/c19-12-6-10(3-4-13(12)20)11-7-14-17(21-8-11)22-18(25)23(14)9-15(24)16-2-1-5-26-16/h1-8H,9H2,(H,21,22,25).
What are the key properties of 6-(3-chloro-4-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
6-(3-chloro-4-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 387.82 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).