6-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one

C17H17ClFN3O2 — CID 58565321

IUPAC6-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC[C@H](COC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C17H17ClFN3O2/c1-3-12(9-24-2)22-15-14(10-4-6-11(19)7-5-10)13(18)8-20-16(15)21-17(22)23/h4-8,12H,3,9H2,1-2H3,(H,20,21,23)/t12-/m1/s1
InChIKeyHQCQHNPCUIVSIE-GFCCVEGCSA-N
MW349.79 g/mol
LogP3.78
Rot. Bonds5

About 6-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one

6-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 58565321) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is 6-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID58565321
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC Name6-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC[C@H](COC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C17H17ClFN3O2/c1-3-12(9-24-2)22-15-14(10-4-6-11(19)7-5-10)13(18)8-20-16(15)21-17(22)23/h4-8,12H,3,9H2,1-2H3,(H,20,21,23)/t12-/m1/s1
InChIKeyHQCQHNPCUIVSIE-GFCCVEGCSA-N
XLogP3.78
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-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-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 58565321) is 6-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one is CC[C@H](COC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21.
What is the InChIKey of 6-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is HQCQHNPCUIVSIE-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c1-3-12(9-24-2)22-15-14(10-4-6-11(19)7-5-10)13(18)8-20-16(15)21-17(22)23/h4-8,12H,3,9H2,1-2H3,(H,20,21,23)/t12-/m1/s1.
What are the key properties of 6-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one?
6-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 349.79 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 58565321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).