1-[(2-fluorophenyl)methyl]-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-6-oxopiperidine-3-carboxamide

• ChemBase ID: 604265
• Molecular Formular: C22H23FN4O2
• Molecular Mass: 394.4420232
• Monoisotopic Mass: 394.18050422
• SMILES: n12c(nc(c1)CNC(=O)C1CN(C(=O)CC1)Cc1c(F)cccc1)ccc(c2)C
• Canonical SMILES: O=C(C1CCC(=O)N(C1)Cc1ccccc1F)NCc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C22H23FN4O2/c1-15-6-8-20-25-18(14-26(20)11-15)10-24-22(29)17-7-9-21(28)27(13-17)12-16-4-2-3-5-19(16)23/h2-6,8,11,14,17H,7,9-10,12-13H2,1H3,(H,24,29)
• InChIKey: AJVZXAHPESHOGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.537186
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1187115
• LogD (pH = 7.4): 1.8295981
• Log P: 1.8568659
• Molar Refractivity: 108.3994 cm^3
• Polarizability: 40.736233 Å^3
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.14
• LOG S: -4.39
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 5