1-{3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl}-2-(3-methoxypropyl)piperidine

• ChemBase ID: 776154
• Molecular Formular: C18H24FN3O2
• Molecular Mass: 333.4004632
• Monoisotopic Mass: 333.18525524
• SMILES: c1(c(n2c(n1)cccc2C)F)C(=O)N1C(CCCOC)CCCC1
• Canonical SMILES: COCCCC1CCCCN1C(=O)c1nc2n(c1F)c(C)ccc2
• InChI: InChI=1S/C18H24FN3O2/c1-13-7-5-10-15-20-16(17(19)22(13)15)18(23)21-11-4-3-8-14(21)9-6-12-24-2/h5,7,10,14H,3-4,6,8-9,11-12H2,1-2H3
• InChIKey: QTABLZJADQBICV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl}-2-(3-methoxypropyl)piperidine
• IUPAC Traditional name: 1-{3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl}-2-(3-methoxypropyl)piperidine
• Synonyms: 3-fluoro-2-{[2-(3-methoxypropyl)-1-piperidinyl]carbonyl}-5-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1148193
• LogD (pH = 7.4): 2.1148987
• Log P: 2.1148996
• Molar Refractivity: 92.1225 cm^3
• Polarizability: 34.127224 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.68
• LOG S: -3.07
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5