uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093239B2
查看![n-(2,6-Difluorophenyl)-5-[3-(2-{[5-methyl-2-(methyloxy)-4-(1-propyl-4-piperidinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)-benzamide 分子结构式](/api/mol/59452784/svg/360x280.svg)
HCID59452784
n-(2,6-Difluorophenyl)-5-[3-(2-{[5-methyl-2-(methyloxy)-4-(1-propyl-4-piperidinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)-benzamide
N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-5-methyl-4-(1-propylpiperidin-4-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
C41H41F2N7O3717.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCCN1CCC(c2cc(OC)c(Nc3nccc(-c4c(-c5ccc(OC)c(C(=O)Nc6c(F)cccc6F)c5)nc5ccccn45)n3)cc2C)CC1
- InChIKey
- YXAQENFRPVZZLS-UHFFFAOYSA-N
- 分子式
- C41H41F2N7O3
- 平均分子量
- 717.8 g/mol
- 单同位素质量
- 717.32389452
COMPUTED
结构计算性质
- XLogP
- 8.1
- 极性表面积
- 106 Ų
- 氢键供体
- 2
- 氢键受体
- 10
- 可旋转键
- 11
- 重原子
- 53
- 形式电荷
- 0
- 复杂度
- 1,160
ALIASES
名称与别名
SCHEMBL310397CHEMBL3937303YXAQENFRPVZZLS-UHFFFAOYSA-Nn-(2,6-difluorophenyl)-5-[3-(2-{[5-methyl-2-(methyloxy)-4-(1-propyl-4-piperidinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)-benzamiden-(2,6-difluorophenyl)-5-[3-(2-{[5-methyl-2-(methyloxy)-4-(1-propyl-4-piperidinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)benzamide
REACTIONS
参与反应
uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093239B2
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