HCID118390178

tert-butyl 9-((2-((2,3-dimethyl-2H-indazol-6-yl)amino)-5-methylpyrimidin-4-yl)amino)-3-azaspiro[5.5]undecane-3-carboxylate

tert-butyl 9-[[2-[(2,3-dimethylindazol-6-yl)amino]-5-methylpyrimidin-4-yl]amino]-3-azaspiro[5.5]undecane-3-carboxylate

C29H41N7O2519.7 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cnc(Nc2ccc3c(C)n(C)nc3c2)nc1NC1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2
InChIKey: AFWCNOFXHKGXIU-UHFFFAOYSA-N
分子式: C29H41N7O2
平均分子量: 519.7 g/mol
单同位素质量: 519.33217358

COMPUTED

结构计算性质

已同步

XLogP: 5.6
极性表面积: 97.2 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 6
重原子: 38
形式电荷: 0
复杂度: 801

ALIASES

名称与别名

共 3 条

SCHEMBL17107847AFWCNOFXHKGXIU-UHFFFAOYSA-Ntert-butyl 9-((2-((2,3-dimethyl-2H-indazol-6-yl)amino)-5-methylpyrimidin-4-yl)amino)-3-azaspiro[5.5]undecane-3-carboxylate

REACTIONS

参与反应

2 条

uspto-grants-2016_07 · 10.6084/m9.figshare.5104873.v1 · US09399637B2

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uspto-grants-2016_07 · 10.6084/m9.figshare.5104873.v1 · US09399637B2

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