HCID22347284

1-[4-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidino]-2-(dimethylamino)-1-ethanone

1-[4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-2-(dimethylamino)ethanone

C14H20IN7O429.26 g/mol

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IDENTITY

结构与身份

标准SMILES: CN(C)CC(=O)N1CCC(n2nc(I)c3c(N)ncnc32)CC1
InChIKey: XHQBIUWRRQMSMN-UHFFFAOYSA-N
分子式: C14H20IN7O
平均分子量: 429.26 g/mol
单同位素质量: 429.07741

COMPUTED

结构计算性质

已同步

XLogP: 0.5
极性表面积: 93.2 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 3
重原子: 23
形式电荷: 0
复杂度: 429

ALIASES

名称与别名

共 5 条

SCHEMBL5802940XHQBIUWRRQMSMN-UHFFFAOYSA-N1-(4-(4-Amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2-(dimethylamino)ethan-1-one1-[4-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidino]-2-(dimethylamino)-1-ethanone330793-80-1

REACTIONS

相关反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06660744B1

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uspto-grants-2005_07 · 10.6084/m9.figshare.5104873.v1 · US06921763B2

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