1-{3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl}-2-{imidazo[1,2-a]pyridin-3-yl}ethan-1-one

• ChemBase ID: 494197
• Molecular Formular: C22H24FN3O
• Molecular Mass: 365.4438632
• Monoisotopic Mass: 365.19034062
• SMILES: n12c(CC(=O)N3CC(CCc4ccc(F)cc4)CCC3)cnc1cccc2
• Canonical SMILES: Fc1ccc(cc1)CCC1CCCN(C1)C(=O)Cc1cnc2n1cccc2
• InChI: InChI=1S/C22H24FN3O/c23-19-10-8-17(9-11-19)6-7-18-4-3-12-25(16-18)22(27)14-20-15-24-21-5-1-2-13-26(20)21/h1-2,5,8-11,13,15,18H,3-4,6-7,12,14,16H2
• InChIKey: QHCFTUUGDNIYJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl}-2-{imidazo[1,2-a]pyridin-3-yl}ethan-1-one
• IUPAC Traditional name: 1-{3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl}-2-{imidazo[1,2-a]pyridin-3-yl}ethanone
• Synonyms: 3-(2-{3-[2-(4-fluorophenyl)ethyl]-1-piperidinyl}-2-oxoethyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6616247
• LogD (pH = 7.4): 3.3085995
• Log P: 3.3386905
• Molar Refractivity: 104.8641 cm^3
• Polarizability: 39.50501 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.09
• LOG S: -5.36
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 5