HCID58777577

[4-Amino-2-(1-methanesulfonyl-piperidin-4-ylamino)-pyrimidin-5-yl]-(5-fluoro-2-methoxy-4-methyl-phenyl)-methanone

[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(5-fluoro-2-methoxy-4-methylphenyl)methanone

C19H24FN5O4S437.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc(C)c(F)cc1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N
InChIKey: DPZUJPXVAPZHTQ-UHFFFAOYSA-N
分子式: C19H24FN5O4S
平均分子量: 437.5 g/mol
单同位素质量: 437.1533036

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 136 Å²
氢键供体: 2
氢键受体: 10
可旋转键: 6
重原子: 30
形式电荷: 0
复杂度: 698

ALIASES

名称与别名

共 3 条

SCHEMBL4351960DPZUJPXVAPZHTQ-UHFFFAOYSA-N[4-amino-2-(1-methanesulfonyl-piperidin-4-ylamino)-pyrimidin-5-yl]-(5-fluoro-2-methoxy-4-methyl-phenyl)-methanone

REACTIONS

参与反应

2 条

uspto-grants-2007_01 · 10.6084/m9.figshare.5104873.v1 · US07157455B2

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uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07615634B2

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