2-{8-methylimidazo[1,2-a]pyridin-3-yl}-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethan-1-one

• ChemBase ID: 732200
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: c12n(c(CC(=O)N3CCC(CC3)OCc3cnccc3)cn1)cccc2C
• Canonical SMILES: O=C(N1CCC(CC1)OCc1cccnc1)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C21H24N4O2/c1-16-4-3-9-25-18(14-23-21(16)25)12-20(26)24-10-6-19(7-11-24)27-15-17-5-2-8-22-13-17/h2-5,8-9,13-14,19H,6-7,10-12,15H2,1H3
• InChIKey: BZICPFFGKBNJIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{8-methylimidazo[1,2-a]pyridin-3-yl}-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethan-1-one
• IUPAC Traditional name: 2-{8-methylimidazo[1,2-a]pyridin-3-yl}-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
• Synonyms: 8-methyl-3-{2-oxo-2-[4-(3-pyridinylmethoxy)-1-piperidinyl]ethyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.084694214
• LogD (pH = 7.4): 0.8869947
• Log P: 0.93911654
• Molar Refractivity: 104.7095 cm^3
• Polarizability: 39.642406 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.77
• LOG S: -2.07
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 5