uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440982B2
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HCID117727972
((2S,3R)-3-Methyl-2-(((5-(trifluoromethyl)pyridin-2-yl)amino)methyl)piperidin-1-yl)(5-methyl-2-(1-methyl-1H-imidazol-5-yl)phenyl)methanone
[5-methyl-2-(3-methylimidazol-4-yl)phenyl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
C25H28F3N5O471.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1ccc(-c2cncn2C)c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ccc(C(F)(F)F)cn2)c1
- InChIKey
- SHNFSQWXYLFHEF-DYESRHJHSA-N
- 分子式
- C25H28F3N5O
- 平均分子量
- 471.5 g/mol
- 单同位素质量
- 471.22459502
COMPUTED
结构计算性质
- XLogP
- 4.7
- 极性表面积
- 63.1 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 5
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 692
ALIASES
名称与别名
((2S,3R)-3-Methyl-2-(((5-(trifluoromethyl)pyridin-2-yl)amino)methyl)piperidin-1-yl)(5-methyl-2-(1-methyl-1H-imidazol-5-yl)phenyl)methanoneSCHEMBL16277691
REACTIONS
参与反应