uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08633173B2
查看![N-Methyl-N-(3-{2-[4-(1-methyl-piperidin-4-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-ylamino}-pyridin-2-yl)-methanesulfonamide 分子结构式](/api/mol/67478983/svg/360x280.svg)
HCID67478983
N-Methyl-N-(3-{2-[4-(1-methyl-piperidin-4-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-ylamino}-pyridin-2-yl)-methanesulfonamide
N-methyl-N-[3-[[2-[4-(1-methylpiperidin-4-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-2-pyridinyl]methanesulfonamide
C25H30N8O2S506.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CN1CCC(c2ccc(Nc3nc4c(Nc5cccnc5N(C)S(C)(=O)=O)cccn4n3)cc2)CC1
- InChIKey
- MDRNKAUMABPKPU-UHFFFAOYSA-N
- 分子式
- C25H30N8O2S
- 平均分子量
- 506.6 g/mol
- 单同位素质量
- 506.2212434
COMPUTED
结构计算性质
- XLogP
- 3.2
- 极性表面积
- 116 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 7
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 809
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL2634766CHEMBL3642356BDBM99632MDRNKAUMABPKPU-UHFFFAOYSA-NUS8501936, 133N-Methyl-N-(3-{2-[4-(1-methyl-piperidin-4-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-ylamino}-pyridin-2-yl)-methanesulfonamide
REACTIONS
