HCID135886458

1-isopropyl-6-[(3S,4S)-4-methyl-1-(1,8-naphthyridin-4-ylmethyl)pyrrolidin-3-yl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

6-[(3S,4S)-4-methyl-1-(1,8-naphthyridin-4-ylmethyl)pyrrolidin-3-yl]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C22H25N7O403.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)n1ncc2c(=O)[nH]c([C@@H]3CN(Cc4ccnc5ncccc45)C[C@H]3C)nc21
InChIKey: PAOXLSJYEIANQB-RDTXWAMCSA-N
分子式: C22H25N7O
平均分子量: 403.5 g/mol
单同位素质量: 403.21205845

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 88.3 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 4
重原子: 30
形式电荷: 0
复杂度: 682

ALIASES

名称与别名

共 3 条

SCHEMBL1716990PAOXLSJYEIANQB-RDTXWAMCSA-N1-isopropyl-6-[(3S,4S)-4-methyl-1-(1,8-naphthyridin-4-ylmethyl)pyrrolidin-3-yl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

REACTIONS

参与反应

1 条

uspto-grants-2011_06 · 10.6084/m9.figshare.5104873.v1 · US07964607B2

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