N-{(3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylsulfonyl)ethyl]-2-oxoazepan-3-yl}-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

HCID 11192602

基本情報

標準SMILES
CS(=O)(=O)CCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O
InChIKey
PEYRLOIWDKHZQX-DYESRHJHSA-N
分子式
C27H32F2N6O5S
平均分子量
590.6 g/mol

名称と識別子

優先名称
N-{(3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylsulfonyl)ethyl]-2-oxoazepan-3-yl}-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
IUPAC
N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methylsulfonylethyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

名称と別名

CHEMBL392636N-{(3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylsulfonyl)ethyl]-2-oxoazepan-3-yl}-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamideSCHEMBL1198235PEYRLOIWDKHZQX-DYESRHJHSA-NBDBM50224430N-{(3R,6S)-6-(2,3-Difluorophenyl)-1-[2-(methyl sulfonyl)ethyl]-2-oxoazepan-3-yl}-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamideN-{(3R,6S)-6-(2,3-Difluorophenyl)-1-[2-(methylsulfonyl)ethyl]-2-oxoazepan-3-yl}-4-(2-oxo-2.3-dihydro-1H-imidazo[4.5-b]pyridin-1-yl)piperidine-1-carboxamide

データベース識別子

PubChem CID
11192602
ChEMBL
CHEMBL392636

物性

構造計算による物性

XLogP
1.3
極性表面積
140 Ų
水素結合供与体数
2
水素結合受容体数
8
回転可能結合数
6
重原子数
41

関連反応

6 件

化合物ノート

読み込み中…