4-(3,4-difluorobenzoyl)-1-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine

• ChemBase ID: 857135
• Molecular Formular: C21H19F2N3O2
• Molecular Mass: 383.3912664
• Monoisotopic Mass: 383.1445333
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N1CCC(C(=O)c2cc(c(cc2)F)F)CC1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N1CCC(CC1)C(=O)c1ccc(c(c1)F)F
• InChI: InChI=1S/C21H19F2N3O2/c1-13-2-5-19-24-18(12-26(19)11-13)21(28)25-8-6-14(7-9-25)20(27)15-3-4-16(22)17(23)10-15/h2-5,10-12,14H,6-9H2,1H3
• InChIKey: MVJKHMHVNIKMTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,4-difluorobenzoyl)-1-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine
• IUPAC Traditional name: 4-(3,4-difluorobenzoyl)-1-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine
• Synonyms: (3,4-difluorophenyl){1-[(6-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-4-piperidinyl}methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.146402
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0606558
• LogD (pH = 7.4): 3.0694537
• Log P: 3.0695672
• Molar Refractivity: 102.1092 cm^3
• Polarizability: 37.25688 Å^3
• Polar Surface Area: 54.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.39
• LOG S: -4.04
• Polar Surface Area: 54.68 Å^2
• Rotatable Bonds: 3