5-tert-butyl-1,3-dimethylimidazo[4,5-b]pyridin-2-one

C12H17N3O — CID 138655254

IUPAC5-tert-butyl-1,3-dimethylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(C)c2nc(C(C)(C)C)ccc21
InChIInChI=1S/C12H17N3O/c1-12(2,3)9-7-6-8-10(13-9)15(5)11(16)14(8)4/h6-7H,1-5H3
InChIKeyGBAMYERZDGAGCZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.57
Rot. Bonds

About 5-tert-butyl-1,3-dimethylimidazo[4,5-b]pyridin-2-one

5-tert-butyl-1,3-dimethylimidazo[4,5-b]pyridin-2-one (PubChem CID 138655254) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-tert-butyl-1,3-dimethylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-tert-butyl-1,3-dimethylimidazo[4,5-b]pyridin-2-one
PubChem CID138655254
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-tert-butyl-1,3-dimethylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(C)c2nc(C(C)(C)C)ccc21
InChIInChI=1S/C12H17N3O/c1-12(2,3)9-7-6-8-10(13-9)15(5)11(16)14(8)4/h6-7H,1-5H3
InChIKeyGBAMYERZDGAGCZ-UHFFFAOYSA-N
XLogP1.57
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-1,3-dimethylimidazo[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 5-tert-butyl-1,3-dimethylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-tert-butyl-1,3-dimethylimidazo[4,5-b]pyridin-2-one (CID 138655254) is 5-tert-butyl-1,3-dimethylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-tert-butyl-1,3-dimethylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-tert-butyl-1,3-dimethylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(C)c2nc(C(C)(C)C)ccc21.
What is the InChIKey of 5-tert-butyl-1,3-dimethylimidazo[4,5-b]pyridin-2-one?
The InChIKey is GBAMYERZDGAGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(2,3)9-7-6-8-10(13-9)15(5)11(16)14(8)4/h6-7H,1-5H3.
What are the key properties of 5-tert-butyl-1,3-dimethylimidazo[4,5-b]pyridin-2-one?
5-tert-butyl-1,3-dimethylimidazo[4,5-b]pyridin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-dimethylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 138655254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).