1-[2-(3-fluorophenyl)ethyl]-N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-6-oxopiperidine-3-carboxamide

• ChemBase ID: 490133
• Molecular Formular: C23H25FN4O2
• Molecular Mass: 408.4686032
• Monoisotopic Mass: 408.19615428
• SMILES: c1(n2c(nc1)cccc2)CN(C(=O)C1CN(C(=O)CC1)CCc1cc(F)ccc1)C
• Canonical SMILES: Fc1cccc(c1)CCN1CC(CCC1=O)C(=O)N(Cc1cnc2n1cccc2)C
• InChI: InChI=1S/C23H25FN4O2/c1-26(16-20-14-25-21-7-2-3-11-28(20)21)23(30)18-8-9-22(29)27(15-18)12-10-17-5-4-6-19(24)13-17/h2-7,11,13-14,18H,8-10,12,15-16H2,1H3
• InChIKey: SIWNVMFGHXOREW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3-fluorophenyl)ethyl]-N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: 1-[2-(3-fluorophenyl)ethyl]-N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-6-oxopiperidine-3-carboxamide
• Synonyms: 1-[2-(3-fluorophenyl)ethyl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0555229
• LogD (pH = 7.4): 1.668711
• Log P: 1.694311
• Molar Refractivity: 113.4096 cm^3
• Polarizability: 42.651043 Å^3
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.2
• LOG S: -3.63
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 6