1-(4-fluorophenyl)-4-{imidazo[1,2-a]pyridine-6-carbonyl}piperazine

• ChemBase ID: 705860
• Molecular Formular: C18H17FN4O
• Molecular Mass: 324.3521832
• Monoisotopic Mass: 324.1386394
• SMILES: c1(C(=O)N2CCN(c3ccc(cc3)F)CC2)cn2c(ncc2)cc1
• Canonical SMILES: Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C18H17FN4O/c19-15-2-4-16(5-3-15)21-9-11-22(12-10-21)18(24)14-1-6-17-20-7-8-23(17)13-14/h1-8,13H,9-12H2
• InChIKey: SDCVJGIIQHXBKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-4-{imidazo[1,2-a]pyridine-6-carbonyl}piperazine
• IUPAC Traditional name: 1-(4-fluorophenyl)-4-{imidazo[1,2-a]pyridine-6-carbonyl}piperazine
• Synonyms: 6-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3102354
• LogD (pH = 7.4): 1.9140656
• Log P: 1.9384836
• Molar Refractivity: 91.5732 cm^3
• Polarizability: 33.16869 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 0.9
• LOG S: -2.33
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 2