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1-乙基-3-(4-硝基苯基)-4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑 | 942920-11-8

1-乙基-3-(4-硝基苯基)-4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑
1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
942920-11-8
C17H22BN3O4
343.185284137726
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:1-乙基-3-(4-硝基苯基)-4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑结构式
名称和标识符
MDL MFCD12400854
InChIKey BNJLOSTYUZRZME-UHFFFAOYSA-N
Inchi 1S/C17H22BN3O4/c1-6-20-11-14(18-24-16(2,3)17(4,5)25-18)15(19-20)12-7-9-13(10-8-12)21(22)23/h7-11H,6H2,1-5H3
SMILES [O-][N+](C1C=CC(C2C(B3OC(C)(C)C(C)(C)O3)=CN(CC)N=2)=CC=1)=O
别名信息
- 中文别名 -
  • 1-乙基-3-(4-硝基苯基)-4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑
  • 1-乙基-3-(4-硝基苯基)-4-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)-1H-吡唑
- 英文别名 -
  • 1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborol An-2-yl)-1h-pyrazole
  • 4-({[3-chloro-6-(difluoromethoxy)-1-benzothiophen-2-yl]carbonyl}amino)benzoic acid
  • 1-Ethyl-3-(4-methoxy-phenyl)-5,6,7,8-tetrahydro-isochinolin
  • AC1NRJK2
  • STL173971
  • 3-(4-nitrophenyl)-1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
  • 1-ethyl-3-(4-methoxy-phenyl)-5,6,7,8-tetrahydro-isoquinoline
  • 1-Ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
  • BNJLOSTYUZRZME-UHFFFAOYSA-N
  • 1-ethyl-3-(4-nitrophenyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
  • 1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole
  • 1-Ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (ACI)
  • 1-Ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
  • 1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
物化性质
实验特性
密度 1.20
计算特性
氢键供体数量 0
氢键受体数量 5
可旋转化学键数量 3
重原子数量 25
复杂度 487
拓扑分子极性表面积 82.1
合成路线

合成路线:1 步

反应条件:
参考文献:
Preparation of azaindoles as aurora kinase inhibitors for the treatment of cancer
, United States, , ,

合成路线:1 步

反应条件:
参考文献:
Discovery of GSK1070916, a Potent and Selective Inhibitor of Aurora B/C Kinase
Adams, Nicholas D.; Adams, Jerry L.; Burgess, Joelle L.; Chaudhari, Amita M.; Copeland, Robert A.; et al, Journal of Medicinal Chemistry, 2010, 53(10), 3973-4001
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