6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one

C11H12BrN3O — CID 71299221

IUPAC6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(Br)cc2n1C1CCCC1
InChIInChI=1S/C11H12BrN3O/c12-7-5-9-10(13-6-7)14-11(16)15(9)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,13,14,16)
InChIKeyZVWUCCKPQWUUHF-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.60
Rot. Bonds1

About 6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one

6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 71299221) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID71299221
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(Br)cc2n1C1CCCC1
InChIInChI=1S/C11H12BrN3O/c12-7-5-9-10(13-6-7)14-11(16)15(9)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,13,14,16)
InChIKeyZVWUCCKPQWUUHF-UHFFFAOYSA-N
XLogP2.60
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one (CID 71299221) is 6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(Br)cc2n1C1CCCC1.
What is the InChIKey of 6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is ZVWUCCKPQWUUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-7-5-9-10(13-6-7)14-11(16)15(9)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,13,14,16).
What are the key properties of 6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one?
6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 282.14 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 71299221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).