2-{[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]formamido}hexanamide

• ChemBase ID: 532138
• Molecular Formular: C20H21FN4O2
• Molecular Mass: 368.4047432
• Monoisotopic Mass: 368.16485415
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NC(C(=O)N)CCCC
• Canonical SMILES: CCCCC(C(=O)N)NC(=O)c1ccc2n(c1)cc(n2)c1ccc(cc1)F
• InChI: InChI=1S/C20H21FN4O2/c1-2-3-4-16(19(22)26)24-20(27)14-7-10-18-23-17(12-25(18)11-14)13-5-8-15(21)9-6-13/h5-12,16H,2-4H2,1H3,(H2,22,26)(H,24,27)
• InChIKey: MLYXEUKQWXTLKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]formamido}hexanamide
• IUPAC Traditional name: 2-{[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]formamido}hexanamide
• Synonyms: N-[1-(aminocarbonyl)pentyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.274066
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4706492
• LogD (pH = 7.4): 2.6580598
• Log P: 2.661108
• Molar Refractivity: 101.0188 cm^3
• Polarizability: 38.98067 Å^3
• Polar Surface Area: 89.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.01
• LOG S: -4.46
• Polar Surface Area: 89.49 Å^2
• Rotatable Bonds: 7