methyl 3-cyclopropyl-5-methylimidazo[1,5-a]pyridine-6-carboxylate

• ChemBase ID: 248222
• Molecular Formular: C13H14N2O2
• Molecular Mass: 230.26246
• Monoisotopic Mass: 230.1055277
• SMILES: n12c(c(ccc2cnc1C1CC1)C(=O)OC)C
• Canonical SMILES: COC(=O)c1ccc2n(c1C)c(nc2)C1CC1
• InChI: InChI=1S/C13H14N2O2/c1-8-11(13(16)17-2)6-5-10-7-14-12(15(8)10)9-3-4-9/h5-7,9H,3-4H2,1-2H3
• InChIKey: SAUUHUXVMBLQCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-cyclopropyl-5-methylimidazo[1,5-a]pyridine-6-carboxylate
• IUPAC Traditional name: methyl 3-cyclopropyl-5-methylimidazo[1,5-a]pyridine-6-carboxylate
• Synonyms: methyl 3-cyclopropyl-5-methylimidazo[1,5-a]pyridine-6-carboxylate

Database IDs

• PubChem SID: 164304132
• PubChem CID: 71758416

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.45708898
• LogD (pH = 7.4): 0.9342957
• Log P: 1.5173049
• Molar Refractivity: 65.3516 cm^3
• Polarizability: 24.861214 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.643

Product Information

• Purity: 95%