1-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]-3-propoxypiperidine

• ChemBase ID: 442252
• Molecular Formular: C22H24FN3O2
• Molecular Mass: 381.4432632
• Monoisotopic Mass: 381.18525524
• SMILES: c1(C(=O)N2CC(OCCC)CCC2)cn2c(nc(c2)c2ccc(cc2)F)cc1
• Canonical SMILES: CCCOC1CCCN(C1)C(=O)c1ccc2n(c1)cc(n2)c1ccc(cc1)F
• InChI: InChI=1S/C22H24FN3O2/c1-2-12-28-19-4-3-11-25(14-19)22(27)17-7-10-21-24-20(15-26(21)13-17)16-5-8-18(23)9-6-16/h5-10,13,15,19H,2-4,11-12,14H2,1H3
• InChIKey: LJAANKHZENZWHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]-3-propoxypiperidine
• IUPAC Traditional name: 1-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]-3-propoxypiperidine
• Synonyms: 2-(4-fluorophenyl)-6-[(3-propoxypiperidin-1-yl)carbonyl]imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3426514
• LogD (pH = 7.4): 3.528228
• Log P: 3.5312388
• Molar Refractivity: 107.3161 cm^3
• Polarizability: 41.411533 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.5
• LOG S: -4.12
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5