6-bromo-1-[(4-fluorooxan-4-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one

C18H17BrFN3O2 — CID 67078441

IUPAC6-bromo-1-[(4-fluorooxan-4-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one
SMILESO=c1n(CC2(F)CCOCC2)c2cc(Br)cnc2n1-c1ccccc1
InChIInChI=1S/C18H17BrFN3O2/c19-13-10-15-16(21-11-13)23(14-4-2-1-3-5-14)17(24)22(15)12-18(20)6-8-25-9-7-18/h1-5,10-11H,6-9,12H2
InChIKeyRREPGGFQIWTAPD-UHFFFAOYSA-N
MW406.26 g/mol
LogP3.47
Rot. Bonds3

About 6-bromo-1-[(4-fluorooxan-4-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one

6-bromo-1-[(4-fluorooxan-4-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one (PubChem CID 67078441) has the molecular formula C18H17BrFN3O2 and a molecular weight of 406.26 g/mol. Its IUPAC name is 6-bromo-1-[(4-fluorooxan-4-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-1-[(4-fluorooxan-4-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one
PubChem CID67078441
Molecular FormulaC18H17BrFN3O2
Molecular Weight406.26 g/mol
Exact Mass405.05
IUPAC Name6-bromo-1-[(4-fluorooxan-4-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one
SMILESO=c1n(CC2(F)CCOCC2)c2cc(Br)cnc2n1-c1ccccc1
InChIInChI=1S/C18H17BrFN3O2/c19-13-10-15-16(21-11-13)23(14-4-2-1-3-5-14)17(24)22(15)12-18(20)6-8-25-9-7-18/h1-5,10-11H,6-9,12H2
InChIKeyRREPGGFQIWTAPD-UHFFFAOYSA-N
XLogP3.47
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-bromo-1-[(4-fluorooxan-4-yl)methyl]-3-phenylimidazo[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-bromo-1-[(4-fluorooxan-4-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-bromo-1-[(4-fluorooxan-4-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one (CID 67078441) is 6-bromo-1-[(4-fluorooxan-4-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-1-[(4-fluorooxan-4-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-bromo-1-[(4-fluorooxan-4-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one is O=c1n(CC2(F)CCOCC2)c2cc(Br)cnc2n1-c1ccccc1.
What is the InChIKey of 6-bromo-1-[(4-fluorooxan-4-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one?
The InChIKey is RREPGGFQIWTAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN3O2/c19-13-10-15-16(21-11-13)23(14-4-2-1-3-5-14)17(24)22(15)12-18(20)6-8-25-9-7-18/h1-5,10-11H,6-9,12H2.
What are the key properties of 6-bromo-1-[(4-fluorooxan-4-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one?
6-bromo-1-[(4-fluorooxan-4-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one has a molecular weight of 406.26 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(4-fluorooxan-4-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67078441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).