HRID152375
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- CCOC(=O)c1nc(C)ccc1Nc1cc(C2CC2)nn1C
- InChIKey
- OZXGMVOUQMDSAX-UHFFFAOYSA-N
- 分子式
- C16H20N4O2
- 平均分子量
- 300.36 g/mol
- 单同位素质量
- 300.15862589
COMPUTED
结构计算性质
- XLogP
- 3.1
- 极性表面积
- 69 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 6
- 重原子
- 22
- 形式电荷
- 0
- 复杂度
- 402
ALIASES
名称与别名
SCHEMBL4905446OZXGMVOUQMDSAX-UHFFFAOYSA-N3-(5-Cyclopropyl-2-methyl-2H-pyrazol-3-ylamino)-6-methyl-pyridine-2-carboxylic acid ethyl ester
REACTIONS
参与反应
HRID283859
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
作为生成物
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看条件与参与物HRID1130617
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看条件与参与物HRID2147651
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D
查看条件与参与物HRID2219569
uspto-grants-2008_08
作为生成物
uspto-grants-2008_08 · 10.6084/m9.figshare.5104873.v1 · US07414060B2
查看条件与参与物HRID2219570
uspto-grants-2008_08
作为反应物
uspto-grants-2008_08 · 10.6084/m9.figshare.5104873.v1 · US07414060B2
查看条件与参与物HRID2219571
uspto-grants-2008_08
作为反应物
uspto-grants-2008_08 · 10.6084/m9.figshare.5104873.v1 · US07414060B2
查看条件与参与物HRID2219572
uspto-grants-2008_08
作为反应物
uspto-grants-2008_08 · 10.6084/m9.figshare.5104873.v1 · US07414060B2
查看条件与参与物