2034581-57-0 ((2-methoxy-6-(1-{5H,6H,7H-pyrazolo3,2-b1,3oxazine-2-carbonyl}piperidin-3-yl)oxypyrazine)

CAS号:
2034581-57-0
英文名称:
2-methoxy-6-(1-{5H,6H,7H-pyrazolo3,2-b1,3oxazine-2-carbonyl}piperidin-3-yl)oxypyrazine
分子式:
C17H21N5O4
分子量:
359.379743337631

2-methoxy-6-(1-{5H,6H,7H-pyrazolo3,2-b1,3oxazine-2-carbonyl}piperidin-3-yl)oxypyrazine(2034581-57-0)名称与标识符

名称

英文别名:
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(3-((6-methoxypyrazin-2-yl)oxy)piperidin-1-yl)methanone;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]methanone;2-methoxy-6-(1-{5H,6H,7H-pyrazolo3,2-b1,3oxazine-2-carbonyl}piperidin-3-yl)oxypyrazine;

标识符

InChIKey:
KPAVFRUJUYLLJR-UHFFFAOYSA-N
Inchi:
1S/C17H21N5O4/c1-24-14-9-18-10-15(19-14)26-12-4-2-5-21(11-12)17(23)13-8-16-22(20-13)6-3-7-25-16/h8-10,12H,2-7,11H2,1H3
SMILES:
O(C1C=NC=C(N=1)OC)C1CN(C(C2C=C3N(CCCO3)N=2)=O)CCC1

2-methoxy-6-(1-{5H,6H,7H-pyrazolo3,2-b1,3oxazine-2-carbonyl}piperidin-3-yl)oxypyrazine(2034581-57-0)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 4
  • 重原子数量 : 26
  • 复杂度 : 496
  • 疏水参数计算参考值(XlogP) : 1.1
  • 拓扑分子极性表面积 : 91.6