HCID66952969

4-(6,6-Dimethyl-4-oxo-3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(tetrahydro-pyran-4-ylamino)-benzonitrile

4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-(oxan-4-ylamino)benzonitrile

C22H23F3N4O2432.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C#N)c(NC4CCOCC4)c3)c2C1
InChIKey: RPBOERMBOCYFHH-UHFFFAOYSA-N
分子式: C22H23F3N4O2
平均分子量: 432.4 g/mol
单同位素质量: 432.17731048

COMPUTED

结构计算性质

等待补全

XLogP: 4.4
极性表面积: 79.9 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 3
重原子: 31
形式电荷: 0
复杂度: 728

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

4-(6,6-dimethyl-4-oxo-3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(tetrahydro-pyran-4-ylamino)-benzonitrileSCHEMBL12207794-(6,6-dimethyl-4-oxo-3-trifluoromethyl -4,5,6,7-tetrahydro-indazol-1-yl)-2-(tetrahydro-pyran-4-ylamino)-benzonitrile

REACTIONS

相关反应

10 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07906529B2

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uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07906529B2

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uspto-grants-2008_04 · 10.6084/m9.figshare.5104873.v1 · US07358370B2

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uspto-grants-2008_04 · 10.6084/m9.figshare.5104873.v1 · US07358370B2

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uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08309548B2

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uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08309548B2

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