1-methyl-1'-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one

• ChemBase编号: 335104
• 分子式: C22H22N4O2
• 平均质量: 374.43568
• 单一同位素质量: 374.17427596
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N1CCC2(C(=O)N(c3c2cccc3)C)CC1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N1CCC2(CC1)c1ccccc1N(C2=O)C
• InChI: InChI=1S/C22H22N4O2/c1-15-7-8-19-23-17(14-26(19)13-15)20(27)25-11-9-22(10-12-25)16-5-3-4-6-18(16)24(2)21(22)28/h3-8,13-14H,9-12H2,1-2H3
• InChIKey: LYOOSEPVEIYGQT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-1'-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one
• IUPAC传统名: 1-methyl-1'-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}spiro[indole-3,4'-piperidine]-2-one
• 别名: 1-methyl-1'-[(6-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]spiro[indole-3,4'-piperidin]-2(1H)-one

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.0359533
• LogD (pH = 7.4): 2.0447512
• Log P: 2.0448647
• 摩尔折射率: 107.7905 cm^3
• 极化性: 40.112415 Å^3
• 极化表面积: 57.92 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.19
• LOG S: -3.8
• 极化表面积: 57.92 Å^2
• 可自由旋转的化学键: 1