(R)-tert-butyl [1-(5-{[3-(cyclopropanecarbonyl)-6-(3-chloro-5-fluoro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl)amino)pyridin-2-yl)piperidin-3-yl)carbamate
基本情報
- 標準SMILES
CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)nc34)cn2)C1- InChIKey
NMLJFOQPZGICJX-OAQYLSRUSA-N- 分子式
- C33H34ClFN6O4
- 平均分子量
- 633.1 g/mol
名称と識別子
- 優先名称
- (R)-tert-butyl [1-(5-{[3-(cyclopropanecarbonyl)-6-(3-chloro-5-fluoro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl)amino)pyridin-2-yl)piperidin-3-yl)carbamate
- IUPAC
- tert-butyl N-[(3R)-1-[5-[[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-3-(cyclopropanecarbonyl)-1,5-naphthyridin-4-yl]amino]-2-pyridinyl]piperidin-3-yl]carbamate
名称と別名
(R)-tert-butyl [1-(5-{[3-(cyclopropanecarbonyl)-6-(3-chloro-5-fluoro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl)amino)pyridin-2-yl)piperidin-3-yl)carbamate(R)-tert-butyl [1-(5-{[3-(cyclopropanecarbonyl)-6-(3-chloro-5-fluoro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino}pyridin-2-yl)piperidin-3-yl]carbamateSCHEMBL16369255NMLJFOQPZGICJX-OAQYLSRUSA-N(R)-tert-butyl[1-(5-{[3-(cyclopropanecarbonyl)-6-(3-chloro-5-fluoro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino}pyridin-2-yl)piperidin-3-yl]carbamate
データベース識別子
- PubChem CID
- 136981880
物性
構造計算による物性
- XLogP
- 6.1
- 極性表面積
- 130 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 10
- 回転可能結合数
- 9
- 重原子数
- 45
- 形式電荷
- 0
- 複雑度
- 1,050
関連反応
3 件
化合物ノート
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