6-bromo-3-[(2-methylpropan-2-yl)oxy]-1H-imidazo[4,5-b]pyridin-2-one

C10H12BrN3O2 — CID 70801703

IUPAC6-bromo-3-[(2-methylpropan-2-yl)oxy]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCC(C)(C)On1c(=O)[nH]c2cc(Br)cnc21
InChIInChI=1S/C10H12BrN3O2/c1-10(2,3)16-14-8-7(13-9(14)15)4-6(11)5-12-8/h4-5H,1-3H3,(H,13,15)
InChIKeyWSONLJCJDDIJJE-UHFFFAOYSA-N
MW286.13 g/mol
LogP1.71
Rot. Bonds1

About 6-bromo-3-[(2-methylpropan-2-yl)oxy]-1H-imidazo[4,5-b]pyridin-2-one

6-bromo-3-[(2-methylpropan-2-yl)oxy]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 70801703) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 6-bromo-3-[(2-methylpropan-2-yl)oxy]-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-3-[(2-methylpropan-2-yl)oxy]-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID70801703
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name6-bromo-3-[(2-methylpropan-2-yl)oxy]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCC(C)(C)On1c(=O)[nH]c2cc(Br)cnc21
InChIInChI=1S/C10H12BrN3O2/c1-10(2,3)16-14-8-7(13-9(14)15)4-6(11)5-12-8/h4-5H,1-3H3,(H,13,15)
InChIKeyWSONLJCJDDIJJE-UHFFFAOYSA-N
XLogP1.71
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-3-[(2-methylpropan-2-yl)oxy]-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-bromo-3-[(2-methylpropan-2-yl)oxy]-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-bromo-3-[(2-methylpropan-2-yl)oxy]-1H-imidazo[4,5-b]pyridin-2-one (CID 70801703) is 6-bromo-3-[(2-methylpropan-2-yl)oxy]-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-3-[(2-methylpropan-2-yl)oxy]-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-bromo-3-[(2-methylpropan-2-yl)oxy]-1H-imidazo[4,5-b]pyridin-2-one is CC(C)(C)On1c(=O)[nH]c2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-[(2-methylpropan-2-yl)oxy]-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is WSONLJCJDDIJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c1-10(2,3)16-14-8-7(13-9(14)15)4-6(11)5-12-8/h4-5H,1-3H3,(H,13,15).
What are the key properties of 6-bromo-3-[(2-methylpropan-2-yl)oxy]-1H-imidazo[4,5-b]pyridin-2-one?
6-bromo-3-[(2-methylpropan-2-yl)oxy]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 286.13 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(2-methylpropan-2-yl)oxy]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 70801703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).