HCID56833646

3-(Chloromethyl)-N,1-bis(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-6-amine

3-(chloromethyl)-N,1-bis[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-6-amine

C23H23ClN4O2422.9 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(CNc2ccc3c(CCl)nn(Cc4ccc(OC)cc4)c3n2)cc1
InChIKey: FRZAMQDRFXLCKR-UHFFFAOYSA-N
分子式: C23H23ClN4O2
平均分子量: 422.9 g/mol
单同位素质量: 422.1509537

COMPUTED

结构计算性质

已同步

XLogP: 4.6
极性表面积: 61.2 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 8
重原子: 30
形式电荷: 0
复杂度: 511

ALIASES

名称与别名

共 4 条

SCHEMBL2880924FRZAMQDRFXLCKR-UHFFFAOYSA-N3-(Chloromethyl)-N,1-bis(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-6-amine3-(chloromethyl)-N,1-bis(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridine-6-amine

REACTIONS

参与反应

12 条

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

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

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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07781454B2

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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07781454B2

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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07781454B2

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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07781454B2

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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