HCID53468661

5-{1-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone

C22H23N7O401.5 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cc(C)n(CC(=O)N2CCc3cc(-c4cn(C)c5ncnc(N)c45)ccc32)n1
InChIKey: YOPJEHCJCZXQQN-UHFFFAOYSA-N
分子式: C22H23N7O
平均分子量: 401.5 g/mol
单同位素质量: 401.19640838

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 94.9 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 3
重原子: 30
形式电荷: 0
复杂度: 647

ALIASES

名称与别名

共 5 条

CHEMBL2441345SCHEMBL869278YOPJEHCJCZXQQN-UHFFFAOYSA-NBDBM504421645-{1-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08598156B2

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