1-methyl-1'-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one

• ChemBase编号: 495265
• 分子式: C22H24N4O
• 平均质量: 360.45216
• 单一同位素质量: 360.19501141
• SMILES: C12(C(=O)N(c3c1cccc3)C)CN(Cc1nc3n(c1)cc(cc3)C)CCC2
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)CN1CCCC2(C1)c1ccccc1N(C2=O)C
• InChI: InChI=1S/C22H24N4O/c1-16-8-9-20-23-17(14-26(20)12-16)13-25-11-5-10-22(15-25)18-6-3-4-7-19(18)24(2)21(22)27/h3-4,6-9,12,14H,5,10-11,13,15H2,1-2H3
• InChIKey: GXYCAMWYULBCNB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-1'-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one
• IUPAC传统名: 1-methyl-1'-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)spiro[indole-3,3'-piperidine]-2-one
• 别名: 1-methyl-1'-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]spiro[indole-3,3'-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): 0.35150722
• LogD (pH = 7.4): 2.1570117
• Log P: 2.539798
• 摩尔折射率: 107.1572 cm^3
• 极化性: 40.63782 Å^3
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.15
• LOG S: -4.52
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 2