名称: [5-methyl-2-(1-methylpyrazol-4-yl)phenyl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
SMILES:
CC1CCCN(C1CNC2=NC=C(C=C2)C(F)(F)F)C(=O)C3=C(C=CC(=C3)C)C4=CN(N=C4)C分子加工
分子式
C25H28F3N5O
分子量
471.53
精确质量
471.2246
XLogP
5.16
TPSA
63.05
氢键给体数
1
氢键受体数
4
可旋转键
5
重原子数
34
环数
4
芳香环
3
饱和环
1
脂环
1
立体中心
2
未定义立体
2
形式电荷
0
杂原子数
9
共价单元
1
sp3占比
0.4
摩尔折射率
124.33
补充信息
InChIKey: XHXUTIQEYCEZLE-VGOFRKELSA-N
同义词
rac-((2S,3R)-3-methyl-2-(((5-(trifluoromethyl)pyridin-2-yl)amino)methyl)piperidin-1-yl)(5-methyl-2-(1-methyl-1H-pyrazol-4-yl)phenyl)methanoneCHEMBL5958744SCHEMBL15184283((2S,3R)-3-methyl-2-(((5-(trifluoromethyl)pyridin-2-yl)amino) methyl)piperidin-1-yl)(5-methyl-2-(1-methyl-1H-pyrazol-4-yl)phenyl)methanone((2S,3R)-3-Methyl-2-(((5-(trifluoromethyl)pyridin-2-yl)amino)methyl)piperidin-1-yl)(5-methyl-2-(1-methyl-1H-pyrazol-4-yl)phenyl)methanone
参与 16 个反应→