1,4-dimethylimidazo[4,5-b]pyridin-2-one

C8H9N3O — CID 14226830

IUPAC1,4-dimethylimidazo[4,5-b]pyridin-2-one
SMILESCn1cccc2n(C)c(=O)nc1-2
InChIInChI=1S/C8H9N3O/c1-10-5-3-4-6-7(10)9-8(12)11(6)2/h3-5H,1-2H3
InChIKeyGVXNTNHTDQUWQT-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.22
Rot. Bonds

About 1,4-dimethylimidazo[4,5-b]pyridin-2-one

1,4-dimethylimidazo[4,5-b]pyridin-2-one (PubChem CID 14226830) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 1,4-dimethylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1,4-dimethylimidazo[4,5-b]pyridin-2-one
PubChem CID14226830
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name1,4-dimethylimidazo[4,5-b]pyridin-2-one
SMILESCn1cccc2n(C)c(=O)nc1-2
InChIInChI=1S/C8H9N3O/c1-10-5-3-4-6-7(10)9-8(12)11(6)2/h3-5H,1-2H3
InChIKeyGVXNTNHTDQUWQT-UHFFFAOYSA-N
XLogP0.22
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1,4-dimethylimidazo[4,5-b]pyridin-2-one (CID 14226830) is 1,4-dimethylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1,4-dimethylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1,4-dimethylimidazo[4,5-b]pyridin-2-one is Cn1cccc2n(C)c(=O)nc1-2.
What is the InChIKey of 1,4-dimethylimidazo[4,5-b]pyridin-2-one?
The InChIKey is GVXNTNHTDQUWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-10-5-3-4-6-7(10)9-8(12)11(6)2/h3-5H,1-2H3.
What are the key properties of 1,4-dimethylimidazo[4,5-b]pyridin-2-one?
1,4-dimethylimidazo[4,5-b]pyridin-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 14226830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).