uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09266883B2
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HCID118036821
N-(5-cyano-4-(2-methoxyethoxyl)pyridin-2-yl)-7-formyl-6-((4-methyl-2-oxopiperazin-1-yl)methyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
C25H29N7O5507.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N
- InChIKey
- LGFNXKJQQVMYQI-UHFFFAOYSA-N
- 分子式
- C25H29N7O5
- 平均分子量
- 507.5 g/mol
- 单同位素质量
- 507.22301705
COMPUTED
结构计算性质
- XLogP
- 0.1
- 极性表面积
- 141 Ų
- 氢键供体
- 1
- 氢键受体
- 9
- 可旋转键
- 8
- 重原子
- 37
- 形式电荷
- 0
- 复杂度
- 866
ALIASES
名称与别名
CHEMBL3973674SCHEMBL16668593LGFNXKJQQVMYQI-UHFFFAOYSA-NBDBM209336PD168872US9266883, 101N-(5-cyano-4-(2-methoxyethoxy)pyridin-2-yl)-7-formyl-6-((4-methyl-2-oxopiperazin-1-yl)methyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamideN-(5-cyano-4-(2-methoxyethoxyl)pyridin-2-yl)-7-formyl-6-((4-methyl-2-oxopiperazin-1-yl)methyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
REACTIONS
参与反应