uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093229B2
查看![(R)-((R)-4-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-hydroxy-2-methylbut-3-ynyl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate 分子结构式](/api/mol/57713830/svg/360x280.svg)
HCID57713830
(R)-((R)-4-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-hydroxy-2-methylbut-3-ynyl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
[(2R)-4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-hydroxy-2-methylbut-3-ynyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
C30H29ClF3N5O5632 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1c(C)cnc(Cn2cc(C#C[C@@](C)(O)COC(=O)[C@](OC)(c3ccccc3)C(F)(F)F)c3c(Cl)nc(N)nc32)c1C
- InChIKey
- VRWAQQXXYOIQKK-FQLXRVMXSA-N
- 分子式
- C30H29ClF3N5O5
- 平均分子量
- 632 g/mol
- 单同位素质量
- 631.1809312
COMPUTED
结构计算性质
- XLogP
- 4.6
- 极性表面积
- 135 Ų
- 氢键供体
- 2
- 氢键受体
- 12
- 可旋转键
- 11
- 重原子
- 44
- 形式电荷
- 0
- 复杂度
- 1,070
ALIASES
名称与别名
(R)-((R)-4-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-hydroxy-2-methylbut-3-ynyl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoateSCHEMBL312435(R)-((R)-4-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo [2,3-d]pyrimidin-5-yl)-2-hydroxy-2-methylbut-3-ynyl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
REACTIONS
参与反应
uspto-grants-2009_06 · 10.6084/m9.figshare.5104873.v1 · US07544672B2
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