N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-3-{imidazo[1,2-a]pyridin-2-yl}-N-methylpropanamide

• ChemBase ID: 313559
• Molecular Formular: C25H31FN4O
• Molecular Mass: 422.5382432
• Monoisotopic Mass: 422.24818985
• SMILES: n12c(nc(c1)CCC(=O)N(CC1CCN(CCc3ccc(F)cc3)CC1)C)cccc2
• Canonical SMILES: Fc1ccc(cc1)CCN1CCC(CC1)CN(C(=O)CCc1nc2n(c1)cccc2)C
• InChI: InChI=1S/C25H31FN4O/c1-28(25(31)10-9-23-19-30-14-3-2-4-24(30)27-23)18-21-12-16-29(17-13-21)15-11-20-5-7-22(26)8-6-20/h2-8,14,19,21H,9-13,15-18H2,1H3
• InChIKey: AONUIEUZWSQFJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-3-{imidazo[1,2-a]pyridin-2-yl}-N-methylpropanamide
• IUPAC Traditional name: N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-3-{imidazo[1,2-a]pyridin-2-yl}-N-methylpropanamide
• Synonyms: N-({1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methyl)-3-imidazo[1,2-a]pyridin-2-yl-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.912426
• LogD (pH = 7.4): 1.4176834
• Log P: 2.999435
• Molar Refractivity: 122.8899 cm^3
• Polarizability: 46.55537 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.88
• LOG S: -4.92
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 8