1-[(2-fluorophenyl)methyl]-N-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-6-oxopiperidine-3-carboxamide

• ChemBase ID: 412621
• Molecular Formular: C22H23FN4O2
• Molecular Mass: 394.4420232
• Monoisotopic Mass: 394.18050422
• SMILES: c12n(cc(n1)CNC(=O)C1CN(C(=O)CC1)Cc1c(F)cccc1)cccc2C
• Canonical SMILES: O=C(C1CCC(=O)N(C1)Cc1ccccc1F)NCc1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C22H23FN4O2/c1-15-5-4-10-26-14-18(25-21(15)26)11-24-22(29)17-8-9-20(28)27(13-17)12-16-6-2-3-7-19(16)23/h2-7,10,14,17H,8-9,11-13H2,1H3,(H,24,29)
• InChIKey: AOUOYGABGILRIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-fluorophenyl)methyl]-N-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: 1-[(2-fluorophenyl)methyl]-N-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-6-oxopiperidine-3-carboxamide
• Synonyms: 1-(2-fluorobenzyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.544958
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1516473
• LogD (pH = 7.4): 1.8322885
• Log P: 1.8568659
• Molar Refractivity: 108.3994 cm^3
• Polarizability: 40.73745 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: -4.37
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 5