3-{imidazo[1,2-a]pyridin-2-yl}-N-[(5-methylfuran-2-yl)methyl]propanamide

• ChemBase ID: 602646
• Molecular Formular: C16H17N3O2
• Molecular Mass: 283.32508
• Monoisotopic Mass: 283.1320768
• SMILES: n12c(nc(c1)CCC(=O)NCc1oc(cc1)C)cccc2
• Canonical SMILES: O=C(NCc1ccc(o1)C)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C16H17N3O2/c1-12-5-7-14(21-12)10-17-16(20)8-6-13-11-19-9-3-2-4-15(19)18-13/h2-5,7,9,11H,6,8,10H2,1H3,(H,17,20)
• InChIKey: QXMVLAZTKCXVKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[(5-methylfuran-2-yl)methyl]propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[(5-methylfuran-2-yl)methyl]propanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-[(5-methyl-2-furyl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.718699
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.37741813
• LogD (pH = 7.4): 1.0894246
• Log P: 1.1167969
• Molar Refractivity: 80.2933 cm^3
• Polarizability: 30.08482 Å^3
• Polar Surface Area: 59.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.62
• LOG S: -2.65
• Polar Surface Area: 59.54 Å^2
• Rotatable Bonds: 5