6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3-phenylimidazo[4,5-b]pyridin-2-one

C19H19BrFN3O2 — CID 67078525

IUPAC6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3-phenylimidazo[4,5-b]pyridin-2-one
SMILESO=c1n(CC(F)C2CCOCC2)c2cc(Br)cnc2n1-c1ccccc1
InChIInChI=1S/C19H19BrFN3O2/c20-14-10-17-18(22-11-14)24(15-4-2-1-3-5-15)19(25)23(17)12-16(21)13-6-8-26-9-7-13/h1-5,10-11,13,16H,6-9,12H2
InChIKeyQYWBMAMDRRWARX-UHFFFAOYSA-N
MW420.28 g/mol
LogP3.71
Rot. Bonds4

About 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3-phenylimidazo[4,5-b]pyridin-2-one

6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3-phenylimidazo[4,5-b]pyridin-2-one (PubChem CID 67078525) has the molecular formula C19H19BrFN3O2 and a molecular weight of 420.28 g/mol. Its IUPAC name is 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3-phenylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3-phenylimidazo[4,5-b]pyridin-2-one
PubChem CID67078525
Molecular FormulaC19H19BrFN3O2
Molecular Weight420.28 g/mol
Exact Mass419.06
IUPAC Name6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3-phenylimidazo[4,5-b]pyridin-2-one
SMILESO=c1n(CC(F)C2CCOCC2)c2cc(Br)cnc2n1-c1ccccc1
InChIInChI=1S/C19H19BrFN3O2/c20-14-10-17-18(22-11-14)24(15-4-2-1-3-5-15)19(25)23(17)12-16(21)13-6-8-26-9-7-13/h1-5,10-11,13,16H,6-9,12H2
InChIKeyQYWBMAMDRRWARX-UHFFFAOYSA-N
XLogP3.71
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3-phenylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3-phenylimidazo[4,5-b]pyridin-2-one (CID 67078525) is 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3-phenylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3-phenylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3-phenylimidazo[4,5-b]pyridin-2-one is O=c1n(CC(F)C2CCOCC2)c2cc(Br)cnc2n1-c1ccccc1.
What is the InChIKey of 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3-phenylimidazo[4,5-b]pyridin-2-one?
The InChIKey is QYWBMAMDRRWARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN3O2/c20-14-10-17-18(22-11-14)24(15-4-2-1-3-5-15)19(25)23(17)12-16(21)13-6-8-26-9-7-13/h1-5,10-11,13,16H,6-9,12H2.
What are the key properties of 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3-phenylimidazo[4,5-b]pyridin-2-one?
6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3-phenylimidazo[4,5-b]pyridin-2-one has a molecular weight of 420.28 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3-phenylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67078525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).