N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 346792
• Molecular Formular: C22H18FN3O
• Molecular Mass: 359.3962232
• Monoisotopic Mass: 359.14339043
• SMILES: c1(cn2c(nc(c2)c2ccccc2)cc1)C(=O)N(Cc1ccc(F)cc1)C
• Canonical SMILES: Fc1ccc(cc1)CN(C(=O)c1ccc2n(c1)cc(n2)c1ccccc1)C
• InChI: InChI=1S/C22H18FN3O/c1-25(13-16-7-10-19(23)11-8-16)22(27)18-9-12-21-24-20(15-26(21)14-18)17-5-3-2-4-6-17/h2-12,14-15H,13H2,1H3
• InChIKey: MJMJOMUMXRVACK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(4-fluorobenzyl)-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7699037
• LogD (pH = 7.4): 3.9547956
• Log P: 3.9577925
• Molar Refractivity: 104.4014 cm^3
• Polarizability: 39.99834 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.26
• LOG S: -4.61
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4