N2-(5-chloro-1-(3-fluoro-1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-4-yl)-N4-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
N2-(5-chloro-1-(3-fluoro-1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-4-yl)-N4-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine · CAS 1536200-31-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- N2-(5-chloro-1-(3-fluoro-1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-4-yl)-N4-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
- CAS
- 1536200-31-3
- CID
- 69281791
- IUPAC 名称
- 2-N-[5-chloro-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- N2-(5-chloro-1-(3-fluoro-1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-4-yl)-N4-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
- CAS
- 1536200-31-3
- CID
- 69281791
- IUPAC 名称
- 2-N-[5-chloro-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
分子属性
- 分子式
- C17H20ClF4N7O
- 分子量
- 449.8 g/mol
- 精确质量
- 449.1353986 Da
- 单同位素质量
- 449.1353986 Da
- XLogP
- 2.8
- 极性表面积
- 80.1 Ų
- 氢键供体
- 2
- 氢键受体
- 11
- 可旋转键
- 5
- 重原子数
- 30
- 净电荷
- 0
- 结构复杂度
- 587
结构标识
- InChIKey
- PUXPEQJKNAWNQA-UHFFFAOYSA-N
- SMILES
- CNC1=NC(=NC=C1C(F)(F)F)NC2=C(N(N=C2)C3CCN(CC3F)C4COC4)Cl
- InChI
- InChI=1S/C17H20ClF4N7O/c1-23-15-10(17(20,21)22)4-24-16(27-15)26-12-5-25-29(14(12)18)13-2-3-28(6-11(13)19)9-7-30-8-9/h4-5,9,11,13H,2-3,6-8H2,1H3,(H2,23,24,26,27)