基本情報
- CAS
571189-10-1- 標準SMILES
C=C(OCC)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O- InChIKey
ZSUHBFDUYDVOFZ-UHFFFAOYSA-N- 分子式
- C31H41N7O4
- 平均分子量
- 575.7 g/mol
名称と識別子
- 優先名称
- 4-{6-[8-Cyclopentyl-6-(1-ethoxy-vinyl)-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-pyridin-3-yl}-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[6-[[8-cyclopentyl-6-(1-ethoxyethenyl)-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylate
- 英語名
- 4-{6-[8-Cyclopentyl-6-(1-ethoxy-vinyl)-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-pyridin-3-yl}-piperazine-1-carboxylic acid tert-butyl ester
- 分子式
- C31H41N7O4
- 分子量
- 575.7
名称と別名
571189-10-14-{6-[8-cyclopentyl-6-(1-ethoxy-vinyl)-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-pyridin-3-yl}-piperazine-1-carboxylic acid tert-butyl estertert-butyl 4-(6-{[8-cyclopentyl-6-(1-ethoxyethenyl)-5-methyl-7-oxo-7H,8H-pyrido[2,3-d]pyrimidin-2-yl]amino}pyridin-3-yl)piperazine-1-carboxylate4-[6-[8-cyclopentyl-6-(1-ethoxy-vinyl)-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-pyridin-3-yl]-piperazine-1-carboxylic acid tert-butyl esterSCHEMBL2077623ZSUHBFDUYDVOFZ-UHFFFAOYSA-Ntert-butyl 4-(6-(8-cyclopentyl-6-(1-ethoxyvinyl)-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-ylamino)pyridin-3-yl)piperazine-1-carboxylateDB-266928H63915tert-butyl 4-(6-((8-cyclopentyl-6-(1-ethoxyvinyl)-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylatetert-butyl4-(6-((8-cyclopentyl-6-(1-ethoxyvinyl)-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylatetert-butyl 4-(6-{[6-(1-ethoxyethenyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}pyridin-3-yl)piperazine-1-carboxylate
物性
構造計算による物性
- XLogP
- 4.2
- 極性表面積
- 113 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 9
- 回転可能結合数
- 9
- 重原子数
- 42
- 形式電荷
- 0
- 複雑度
- 1,030
物理化学的性質
- 沸点
- 749.7 · 749.7±70.0 °C(Predicted)
- 比重(密度)
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 5.24 · 5.24±0.10(Predicted)
化学と産業
サプライヤー4 社
江苏奥赛康药业有限公司13585114296 13585114296 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
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