6-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-imidazo[4,5-b]pyridin-2-one

C14H10F3N3O — CID 134489921

IUPAC6-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)[nH]c2cc(-c3ccc(F)c(C(F)F)c3)cnc21
InChIInChI=1S/C14H10F3N3O/c1-20-13-11(19-14(20)21)5-8(6-18-13)7-2-3-10(15)9(4-7)12(16)17/h2-6,12H,1H3,(H,19,21)
InChIKeyFMZUHBNHFADDTF-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.01
Rot. Bonds2

About 6-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-imidazo[4,5-b]pyridin-2-one

6-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134489921) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID134489921
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name6-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)[nH]c2cc(-c3ccc(F)c(C(F)F)c3)cnc21
InChIInChI=1S/C14H10F3N3O/c1-20-13-11(19-14(20)21)5-8(6-18-13)7-2-3-10(15)9(4-7)12(16)17/h2-6,12H,1H3,(H,19,21)
InChIKeyFMZUHBNHFADDTF-UHFFFAOYSA-N
XLogP3.01
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-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-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-imidazo[4,5-b]pyridin-2-one (CID 134489921) is 6-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-imidazo[4,5-b]pyridin-2-one is Cn1c(=O)[nH]c2cc(-c3ccc(F)c(C(F)F)c3)cnc21.
What is the InChIKey of 6-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is FMZUHBNHFADDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-20-13-11(19-14(20)21)5-8(6-18-13)7-2-3-10(15)9(4-7)12(16)17/h2-6,12H,1H3,(H,19,21).
What are the key properties of 6-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-imidazo[4,5-b]pyridin-2-one?
6-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 293.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134489921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).