HCID9825445

2-(4-Fluorophenyl)-1-(2-cyclopentylamino-4-pyrimidinyl)-5-(morpholino)imidazo[4,5-b]pyridine

N-cyclopentyl-4-[2-(4-fluorophenyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-1-yl]pyrimidin-2-amine

C25H26FN7O459.5 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: Fc1ccc(-c2nc3nc(N4CCOCC4)ccc3n2-c2ccnc(NC3CCCC3)n2)cc1
InChIKey: YGDCPBYTBSIICB-UHFFFAOYSA-N
分子式: C25H26FN7O
平均分子量: 459.5 g/mol
单同位素质量: 459.21828664

COMPUTED

结构计算性质

已同步

XLogP: 4.4
极性表面积: 81 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 5
重原子: 34
形式电荷: 0
复杂度: 653

ALIASES

名称与别名

共 4 条

SCHEMBL6476674YGDCPBYTBSIICB-UHFFFAOYSA-N2-(4-Fluorophenyl)-1-(2-cyclopentylamino-4-pyrimidinyl)-5-(morpholino) Imidazo[4,5-b]pyridine2-(4-Fluorophenyl)-1-(2-cyclopentylamino-4-pyrimidinyl)-5-(morpholino)imidazo[4,5-b]pyridine

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

查看

uspto-grants-2005_05 · 10.6084/m9.figshare.5104873.v1 · US06891039B2

查看