2034475-55-1 ((3-({1-[2-(1H-indol-3-yl)acetyl]piperidin-3-yl}oxy)pyrazine-2-carbonitrile)

CAS号:
2034475-55-1
英文名称:
3-({1-[2-(1H-indol-3-yl)acetyl]piperidin-3-yl}oxy)pyrazine-2-carbonitrile
分子式:
C20H19N5O2
分子量:
361.3972

3-({1-[2-(1H-indol-3-yl)acetyl]piperidin-3-yl}oxy)pyrazine-2-carbonitrile(2034475-55-1)名称与标识符

名称

英文别名:
3-[1-[2-(1H-indol-3-yl)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile;3-((1-(2-(1H-indol-3-yl)acetyl)piperidin-3-yl)oxy)pyrazine-2-carbonitrile;3-({1-[2-(1H-indol-3-yl)acetyl]piperidin-3-yl}oxy)pyrazine-2-carbonitrile;

标识符

InChIKey:
GQSHQYVTXMKSOL-UHFFFAOYSA-N
Inchi:
1S/C20H19N5O2/c21-11-18-20(23-8-7-22-18)27-15-4-3-9-25(13-15)19(26)10-14-12-24-17-6-2-1-5-16(14)17/h1-2,5-8,12,15,24H,3-4,9-10,13H2
SMILES:
O(C1C(C#N)=NC([H])=C([H])N=1)C1([H])C([H])([H])N(C(C([H])([H])C2=C([H])N([H])C3=C([H])C([H])=C([H])C([H])=C23)=O)C([H])([H])C([H])([H])C1([H])[H]

3-({1-[2-(1H-indol-3-yl)acetyl]piperidin-3-yl}oxy)pyrazine-2-carbonitrile(2034475-55-1)物化性质

计算特性

  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 4
  • 重原子数量 : 27
  • 复杂度 : 576
  • 疏水参数计算参考值(XlogP) : 1.9
  • 拓扑分子极性表面积 : 94.9