HCID59605507

2-ethyl-1-(8-((4-(2-hydroxypropan-2-yl)piperidin-1-yl)methyl)-9-methyl-6-morpholino-9H-purin-2-yl)-1H-indazol-3(2H)-one

2-ethyl-1-[8-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-9-methyl-6-morpholin-4-ylpurin-2-yl]indazol-3-one

C28H38N8O3534.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CCn1c(=O)c2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(C(C)(C)O)CC3)n(C)c2n1
InChIKey: BASVFKNNTUSLOM-UHFFFAOYSA-N
分子式: C28H38N8O3
平均分子量: 534.7 g/mol
单同位素质量: 534.3066871

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 103 Å²
氢键供体: 1
氢键受体: 9
可旋转键: 6
重原子: 39
形式电荷: 0
复杂度: 864

ALIASES

名称与别名

共 3 条

SCHEMBL2674688BASVFKNNTUSLOM-UHFFFAOYSA-N2-ethyl-1-(8-((4-(2-hydroxypropan-2-yl)piperidin-1-yl)methyl)-9-methyl-6-morpholino-9H-purin-2-yl)-1H-indazol-3(2H)-one

REACTIONS

参与反应

3 条

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

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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08173650B2

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uspto-grants-2013_03 · 10.6084/m9.figshare.5104873.v1 · US08394796B2

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