uspto-grants-2007_01 · 10.6084/m9.figshare.5104873.v1 · US07164019B2
查看![1-Acetyl-piperidine-4-carboxylic acid {3-[5-(2-azetidin-1-yl-pyridine-3-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-propyl}-(3-chloro-4-methyl-phenyl)-amide 分子结构式](/api/mol/69440374/svg/360x280.svg)
HCID69440374
1-Acetyl-piperidine-4-carboxylic acid {3-[5-(2-azetidin-1-yl-pyridine-3-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-propyl}-(3-chloro-4-methyl-phenyl)-amide
1-acetyl-N-[3-[5-[2-(azetidin-1-yl)pyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
C33H43ClN6O3607.2 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(=O)N1CCC(C(=O)N(CCCN2CC3CN(C(=O)c4cccnc4N4CCC4)CC3C2)c2ccc(C)c(Cl)c2)CC1
- InChIKey
- HVFBBMZEDONMBH-UHFFFAOYSA-N
- 分子式
- C33H43ClN6O3
- 平均分子量
- 607.2 g/mol
- 单同位素质量
- 606.3085169
COMPUTED
结构计算性质
- XLogP
- 3.4
- 极性表面积
- 80.3 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 8
- 重原子
- 43
- 形式电荷
- 0
- 复杂度
- 989
ALIASES
名称与别名
SCHEMBL5435570HVFBBMZEDONMBH-UHFFFAOYSA-N1-Acetyl-piperidine-4-carboxylic acid {3-[5-(2-azetidin-1-yl-pyridine-3-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-propyl}-(3-chloro-4-methyl-phenyl)-amide1-acetyl-piperidine-4-carboxylic acid{3-[5-(2-azetidin-1-yl-pyridine-3-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-propyl}-(3-chloro-4-methyl-phenyl)-amide
REACTIONS
参与反应
uspto-grants-2010_05 · 10.6084/m9.figshare.5104873.v1 · US07714018B2
查看