N-[2-(furan-2-yl)ethyl]-3-{imidazo[1,2-a]pyridin-2-yl}propanamide

• ChemBase ID: 553003
• Molecular Formular: C16H17N3O2
• Molecular Mass: 283.32508
• Monoisotopic Mass: 283.1320768
• SMILES: n12c(nc(c1)CCC(=O)NCCc1occc1)cccc2
• Canonical SMILES: O=C(CCc1nc2n(c1)cccc2)NCCc1ccco1
• InChI: InChI=1S/C16H17N3O2/c20-16(17-9-8-14-4-3-11-21-14)7-6-13-12-19-10-2-1-5-15(19)18-13/h1-5,10-12H,6-9H2,(H,17,20)
• InChIKey: JDBBLIPIQCSKSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.172908
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.23781651
• LogD (pH = 7.4): 0.9498232
• Log P: 0.97719526
• Molar Refractivity: 80.009 cm^3
• Polarizability: 30.161398 Å^3
• Polar Surface Area: 59.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.54
• LOG S: -2.58
• Polar Surface Area: 59.54 Å^2
• Rotatable Bonds: 6