1-[2-(furan-2-yl)azepan-1-yl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one

• ChemBase ID: 560040
• Molecular Formular: C20H23N3O2
• Molecular Mass: 337.41552
• Monoisotopic Mass: 337.17902699
• SMILES: c12n(c(CC(=O)N3C(c4occc4)CCCCC3)cn1)cccc2C
• Canonical SMILES: O=C(N1CCCCCC1c1ccco1)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C20H23N3O2/c1-15-7-5-11-22-16(14-21-20(15)22)13-19(24)23-10-4-2-3-8-17(23)18-9-6-12-25-18/h5-7,9,11-12,14,17H,2-4,8,10,13H2,1H3
• InChIKey: NXRNUZGNFVDTBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(furan-2-yl)azepan-1-yl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one
• IUPAC Traditional name: 1-[2-(furan-2-yl)azepan-1-yl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}ethanone
• Synonyms: 3-{2-[2-(2-furyl)-1-azepanyl]-2-oxoethyl}-8-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8162798
• LogD (pH = 7.4): 2.5592554
• Log P: 2.6105514
• Molar Refractivity: 97.195 cm^3
• Polarizability: 36.714653 Å^3
• Polar Surface Area: 50.75 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: 3.34
• LOG S: -4.51
• Polar Surface Area: 50.75 Å^2
• Rotatable Bonds: 3