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

• ChemBase ID: 660918
• Molecular Formular: C17H16FN3O
• Molecular Mass: 297.3268432
• Monoisotopic Mass: 297.12774037
• SMILES: n12c(nc(c1)CCC(=O)NCc1ccc(F)cc1)cccc2
• Canonical SMILES: O=C(CCc1nc2n(c1)cccc2)NCc1ccc(cc1)F
• InChI: InChI=1S/C17H16FN3O/c18-14-6-4-13(5-7-14)11-19-17(22)9-8-15-12-21-10-2-1-3-16(21)20-15/h1-7,10,12H,8-9,11H2,(H,19,22)
• InChIKey: LFNNFKHONPRSJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-fluorophenyl)methyl]-3-{imidazo[1,2-a]pyridin-2-yl}propanamide
• IUPAC Traditional name: N-[(4-fluorophenyl)methyl]-3-{imidazo[1,2-a]pyridin-2-yl}propanamide
• Synonyms: N-(4-fluorobenzyl)-3-imidazo[1,2-a]pyridin-2-ylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.717821
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2603121
• LogD (pH = 7.4): 1.9723188
• Log P: 1.9996909
• Molar Refractivity: 82.9691 cm^3
• Polarizability: 31.107883 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.05
• LOG S: -3.12
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 5