4-[(1-acetylpiperidin-4-yl)oxy]-N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-3-methoxybenzamide

• ChemBase ID: 373325
• Molecular Formular: C24H28N4O4
• Molecular Mass: 436.50352
• Monoisotopic Mass: 436.2110554
• SMILES: n12c(nc(c1)CCNC(=O)c1cc(c(OC3CCN(C(=O)C)CC3)cc1)OC)cccc2
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C(=O)C)C(=O)NCCc1nc2n(c1)cccc2
• InChI: InChI=1S/C24H28N4O4/c1-17(29)27-13-9-20(10-14-27)32-21-7-6-18(15-22(21)31-2)24(30)25-11-8-19-16-28-12-4-3-5-23(28)26-19/h3-7,12,15-16,20H,8-11,13-14H2,1-2H3,(H,25,30)
• InChIKey: UGGAHVMGBXITTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-acetylpiperidin-4-yl)oxy]-N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-3-methoxybenzamide
• IUPAC Traditional name: 4-[(1-acetylpiperidin-4-yl)oxy]-N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-3-methoxybenzamide
• Synonyms: 4-[(1-acetyl-4-piperidinyl)oxy]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.699718
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.086764805
• LogD (pH = 7.4): 0.7887372
• Log P: 0.81518143
• Molar Refractivity: 121.35 cm^3
• Polarizability: 45.978622 Å^3
• Polar Surface Area: 85.17 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.33
• LOG S: -5.02
• Polar Surface Area: 85.17 Å^2
• Rotatable Bonds: 6