N-[3-(furan-2-yl)-3-phenylpropyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 839381
• Molecular Formular: C23H23N3O2
• Molecular Mass: 373.44762
• Monoisotopic Mass: 373.17902699
• SMILES: c12n(c(cn1)CC(=O)NCCC(c1occc1)c1ccccc1)cccc2C
• Canonical SMILES: O=C(Cc1cnc2n1cccc2C)NCCC(c1ccco1)c1ccccc1
• InChI: InChI=1S/C23H23N3O2/c1-17-7-5-13-26-19(16-25-23(17)26)15-22(27)24-12-11-20(21-10-6-14-28-21)18-8-3-2-4-9-18/h2-10,13-14,16,20H,11-12,15H2,1H3,(H,24,27)
• InChIKey: IDZHFIWHOVPFSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)-3-phenylpropyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-[3-(furan-2-yl)-3-phenylpropyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: N-[3-(2-furyl)-3-phenylpropyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 1
• Log P: 3.43
• LOG S: -4.85
• Polar Surface Area: 59.54 Å^2

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 15.315933
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3139644
• LogD (pH = 7.4): 3.0569673
• Log P: 3.1082726
• Molar Refractivity: 109.9617 cm^3
• Polarizability: 41.51336 Å^3
• Polar Surface Area: 59.54 Å^2
• Rotatable Bonds: 7