HCID178481201

5-(3-fluoro-4-(3-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-3-methyl-2-(phenylamino)pyrimidin-4(3H)-one

2-anilino-5-[3-fluoro-4-[[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-3-methylpyrimidin-4-one

C29H20F2N6O2522.5 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1c(Nc2ccccc2)ncc(-c2ccc(Oc3ccnc4[nH]nc(-c5ccc(F)cc5)c34)c(F)c2)c1=O
InChIKey: BIQZYBBVDZAVPZ-UHFFFAOYSA-N
分子式: C29H20F2N6O2
平均分子量: 522.5 g/mol
单同位素质量: 522.16158023

COMPUTED

结构计算性质

已同步

XLogP: 4.8
极性表面积: 95.5 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 6
重原子: 39
形式电荷: 0
复杂度: 935

ALIASES

名称与别名

共 3 条

SCHEMBL3107124BIQZYBBVDZAVPZ-UHFFFAOYSA-N5-(3-fluoro-4-(3-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-3-methyl-2-(phenylamino)pyrimidin-4(3H)-one

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-2010_05 · 10.6084/m9.figshare.5104873.v1 · US07723330B2

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