HCID11273008

4-[6-(8-Cyclopentyl-6-isobutoxy-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine-1-carboxylic acid tert-butyl ester

tert-butyl 4-[6-[[8-cyclopentyl-6-(2-methylpropoxy)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylate

C30H41N7O4563.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)COc1cc2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O
InChIKey: UVOAMYZMJJVINY-UHFFFAOYSA-N
分子式: C30H41N7O4
平均分子量: 563.7 g/mol
单同位素质量: 563.32200281

COMPUTED

结构计算性质

已同步

XLogP: 4.8
极性表面积: 113 Å²
氢键供体: 1
氢键受体: 9
可旋转键: 9
重原子: 41
形式电荷: 0
复杂度: 940

ALIASES

名称与别名

共 3 条

SCHEMBL4832668UVOAMYZMJJVINY-UHFFFAOYSA-N4-[6-(8-cyclopentyl-6-isobutoxy-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine-1-carboxylic acid tert-butyl ester

REACTIONS