7-methoxyimidazo[1,2-a]pyridine

• ChemBase ID: 171556
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: c1(ccn2c(c1)ncc2)OC
• Canonical SMILES: COc1ccn2c(c1)ncc2
• InChI: InChI=1S/C8H8N2O/c1-11-7-2-4-10-5-3-9-8(10)6-7/h2-6H,1H3
• InChIKey: JARHRSPZSZITEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxyimidazo[1,2-a]pyridine
• IUPAC Traditional name: 7-methoxyimidazo[1,2-a]pyridine
• Synonyms: 7-Methoxyimidazo[1,2-a]pyridine; Imidazo[1,2-a]pyridin-7-ol Methyl Ether

Database IDs

• CAS Number: 342613-71-2
• PubChem SID: 164227466
• PubChem CID: 45088188

CALCULATED PROPERTIES

• Log P: 0.60187817
• Molar Refractivity: 42.3996 cm^3
• Polarizability: 15.802503 Å^3
• Polar Surface Area: 26.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.06647778
• LogD (pH = 7.4): 0.5728839

DETAILS

Toronto Research Chemicals - I387505

Intermediate for heterocyclic compounds as tyrosine kinase inhibitors and anticancer agents.

REFERENCES

• Tung, Y. et al.; J. Med. Chem. 54, 3076 (2011)