HCID57444099

Ethyl 8-{[1-(tert-butoxycarbonyl)pyrrolidin-3-yl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylate

ethyl 1-methyl-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate

C22H30N6O4442.5 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: CCOC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(=O)OC(C)(C)C)C3)nc1-2
InChIKey: DNTDLXBYKFWYQY-UHFFFAOYSA-N
分子式: C22H30N6O4
平均分子量: 442.5 g/mol
单同位素质量: 442.23285346

COMPUTED

结构计算性质

等待补全

XLogP: 2.5
极性表面积: 111 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 7
重原子: 32
形式电荷: 0
复杂度: 700

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

SCHEMBL4150670DNTDLXBYKFWYQY-UHFFFAOYSA-NEthyl 8-{[1-(tert-butoxycarbonyl)pyrrolidin-3-yl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylate

REACTIONS

相关反应

5 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541429B2

查看

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看

uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08981089B2

查看

uspto-grants-2009_01 · 10.6084/m9.figshare.5104873.v1 · US07482354B2

查看

uspto-grants-2009_01 · 10.6084/m9.figshare.5104873.v1 · US07482354B2

查看