uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08754114B2
查看![N-[3-(7-{1-[1-(Cyanomethyl)-2,2,2-trifluoroethyl]-1H-pyrazol-4-yl}imidazo[1,2-b]pyridazin-3-yl)phenyl]-N'-(2,2,2-trifluoroethyl)urea 分子结构式](/api/mol/57386678/svg/360x280.svg)
HCID57386678
N-[3-(7-{1-[1-(Cyanomethyl)-2,2,2-trifluoroethyl]-1H-pyrazol-4-yl}imidazo[1,2-b]pyridazin-3-yl)phenyl]-N'-(2,2,2-trifluoroethyl)urea
1-[3-[7-[1-(3-cyano-1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
C22H16F6N8O522.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- N#CCC(n1cc(-c2cnn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1)C(F)(F)F
- InChIKey
- QRXBZDALFBJVCC-UHFFFAOYSA-N
- 分子式
- C22H16F6N8O
- 平均分子量
- 522.4 g/mol
- 单同位素质量
- 522.13512614
COMPUTED
结构计算性质
- XLogP
- 2.8
- 极性表面积
- 113 Ų
- 氢键供体
- 2
- 氢键受体
- 11
- 可旋转键
- 6
- 重原子
- 37
- 形式电荷
- 0
- 复杂度
- 847
ALIASES
名称与别名
N-[3-(7-{1-[1-(Cyanomethyl)-2,2,2-trifluoroethyl]-1H-pyrazol-4-yl}imidazo[1,2-b]pyridazin-3-yl)phenyl]-N'-(2,2,2-trifluoroethyl)ureaSCHEMBL9950976CHEMBL5975462BDBM356601US10213427, Example 90
REACTIONS
参与反应