1-methyl-1'-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one

• ChemBase编号: 439356
• 分子式: C21H24N4O2
• 平均质量: 364.44086
• 单一同位素质量: 364.18992603
• SMILES: C12(C(=O)N(c3c1cccc3)C)CN(C(=O)c1c3n(nc1)CCCC3)CCC2
• Canonical SMILES: O=C1N(C)c2c(C31CCCN(C3)C(=O)c1cnn3c1CCCC3)cccc2
• InChI: InChI=1S/C21H24N4O2/c1-23-18-9-3-2-7-16(18)21(20(23)27)10-6-11-24(14-21)19(26)15-13-22-25-12-5-4-8-17(15)25/h2-3,7,9,13H,4-6,8,10-12,14H2,1H3
• InChIKey: CYDRONCSULWBMX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-1'-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one
• IUPAC传统名: 1-methyl-1'-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}spiro[indole-3,3'-piperidine]-2-one
• 别名: 1-methyl-1'-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbonyl)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): 1.6361383
• LogD (pH = 7.4): 1.6361759
• Log P: 1.6361763
• 摩尔折射率: 114.5354 cm^3
• 极化性: 38.68355 Å^3
• 极化表面积: 58.44 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: 1.68
• LOG S: -3.29
• 极化表面积: 58.44 Å^2
• 可自由旋转的化学键: 1