6-Bromo-7-[4-(4-Chlorobenzyl)piperazin-1-Yl]-2-[4-(Morpholin-4-Ylmethyl)phenyl]-3h-Imidazo[4,5-B]pyridine (HCID 178478131)

基本情報

標準SMILES: Clc1ccc(CN2CCN(c3c(Br)cnc4[nH]c(-c5ccc(CN6CCOCC6)cc5)nc34)CC2)cc1
InChIKey: IZRXRZKKTJHSGV-UHFFFAOYSA-N
分子式: C28H30BrClN6O
平均分子量: 581.9 g/mol
単同位体質量: 580.1353

名称と識別子

優先名称: 6-Bromo-7-[4-(4-Chlorobenzyl)piperazin-1-Yl]-2-[4-(Morpholin-4-Ylmethyl)phenyl]-3h-Imidazo[4,5-B]pyridine
IUPAC: 4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine

名称と別名

6-Bromo-7-[4-(4-Chlorobenzyl)piperazin-1-Yl]-2-[4-(Morpholin-4-Ylmethyl)phenyl]-3h-Imidazo[4,5-B]pyridineCHEMBL1083772942949-19-16-Bromo-7-[4-(4-chlorobenzyl)piperazin-1-yl]-2-[4-[(morpholin-4-yl)methyl]phenyl]-3H-imidazo[4,5-b]pyridineSCHEMBL208920IZRXRZKKTJHSGV-UHFFFAOYSA-NBDBM50318592CTT137444Q274674686-Bromo-7-[4-(4-chloro-benzyl)-piperazin-1-yl]-2-(4-morpholin-4-ylmethyl-phenyl)-3H-imidazo[4,5-b]pyridine6-Bromo-7-[4-(4-chlorobenzyl)-piperazin-1-yl]-2-(4-morpholin-4-ylmethyl-phenyl)-3H-imidazo[4,5-b]pyridineX6D

データベース識別子

PubChem CID: 46224500

物性

構造計算による物性

XLogP: 4.6
極性表面積: 60.5 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 6
重原子数: 37
形式電荷: 0
複雑度: 707

化合物ノート

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