3-(3-fluoro-4-phenylbenzoyl)-1-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine

• ChemBase ID: 430334
• Molecular Formular: C27H24FN3O2
• Molecular Mass: 441.4967632
• Monoisotopic Mass: 441.18525524
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)N1CC(C(=O)c2cc(c(cc2)c2ccccc2)F)CCC1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)C(=O)N1CCCC(C1)C(=O)c1ccc(c(c1)F)c1ccccc1
• InChI: InChI=1S/C27H24FN3O2/c1-18-11-13-30-17-24(29-25(30)14-18)27(33)31-12-5-8-21(16-31)26(32)20-9-10-22(23(28)15-20)19-6-3-2-4-7-19/h2-4,6-7,9-11,13-15,17,21H,5,8,12,16H2,1H3
• InChIKey: XDBNSXUNNFHYKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-fluoro-4-phenylbenzoyl)-1-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine
• IUPAC Traditional name: 3-(3-fluoro-4-phenylbenzoyl)-1-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine
• Synonyms: (2-fluoro-4-biphenylyl){1-[(7-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-3-piperidinyl}methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.217464
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.7251987
• LogD (pH = 7.4): 4.729937
• Log P: 4.729998
• Molar Refractivity: 126.875 cm^3
• Polarizability: 48.456535 Å^3
• Polar Surface Area: 54.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.97
• LOG S: -6.88
• Polar Surface Area: 54.68 Å^2
• Rotatable Bonds: 4