4,4-difluoro-1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}piperidine

• ChemBase ID: 521525
• Molecular Formular: C14H15F2N3O
• Molecular Mass: 279.2852064
• Monoisotopic Mass: 279.11831856
• SMILES: c1(C(=O)N2CCC(CC2)(F)F)cn2c(nc(c2)C)cc1
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)N1CCC(CC1)(F)F
• InChI: InChI=1S/C14H15F2N3O/c1-10-8-19-9-11(2-3-12(19)17-10)13(20)18-6-4-14(15,16)5-7-18/h2-3,8-9H,4-7H2,1H3
• InChIKey: OPGBCCZTUBABEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-difluoro-1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}piperidine
• IUPAC Traditional name: 4,4-difluoro-1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}piperidine
• Synonyms: 6-[(4,4-difluoropiperidin-1-yl)carbonyl]-2-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.60798025
• LogD (pH = 7.4): 1.2379893
• Log P: 1.258636
• Molar Refractivity: 71.0023 cm^3
• Polarizability: 25.890875 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 0.52
• LOG S: -1.68
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 1