uspto-grants-2016_01 · 10.6084/m9.figshare.5104873.v1 · US09227970B2
查看![4-(Azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-methoxy-pyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-amide 分子结构式](/api/mol/71535048/svg/360x280.svg)
HCID71535048
4-(Azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-methoxy-pyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-amide
4-(azetidine-1-carbonyl)-N-[2-(3-methoxypyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-methylpyrazole-5-carboxamide
C20H24N8O3424.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COC1CCN(c2nc3ccc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)cn3n2)C1
- InChIKey
- FDCFLHBZMUHIJO-UHFFFAOYSA-N
- 分子式
- C20H24N8O3
- 平均分子量
- 424.5 g/mol
- 单同位素质量
- 424.19713666
COMPUTED
结构计算性质
- XLogP
- 0.3
- 极性表面积
- 110 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 5
- 重原子
- 31
- 形式电荷
- 0
- 复杂度
- 691
ALIASES
名称与别名
CHEMBL3941156SCHEMBL14822318FDCFLHBZMUHIJO-UHFFFAOYSA-NBDBM200556US9227970, 434-(Azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-methoxy-pyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-amide
REACTIONS
参与反应
uspto-grants-2015_02 · 10.6084/m9.figshare.5104873.v1 · US08946427B2
查看