HCID25062408

5-Chloro-2-(4-((6-(dimethylamino)pyridin-3-yl)methylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)benzonitrile

5-chloro-2-[4-[[6-(dimethylamino)-3-pyridinyl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile

C22H22ClN7419.9 g/molCAS 1073428-69-9

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IDENTITY

结构与身份

标准SMILES: CN(C)c1ccc(CNc2ncnc3c2CN(c2ccc(Cl)cc2C#N)CC3)cn1
InChIKey: LHUYOPDVSCBYGR-UHFFFAOYSA-N
分子式: C22H22ClN7
平均分子量: 419.9 g/mol
单同位素质量: 419.1625214

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 81 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 5
重原子: 30
形式电荷: 0
复杂度: 608

ALIASES

名称与别名

共 7 条

SCHEMBL2862852CHEMBL3728033LHUYOPDVSCBYGR-UHFFFAOYSA-NDTXSID2011061501073428-69-95-Chloro-2-(4-((6-(dimethylamino)pyridin-3-yl)methylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)benzonitrile5-Chloro-2-[4-[[[6-(dimethylamino)-3-pyridinyl]methyl]amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl]benzonitrile

REACTIONS

参与反应

2 条

uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08076345B2

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

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