3-(4-Chloro-3-methyl-phenyl)-1-{3-[4-(2-cyano-phenyl)-piperazin-1-yl]-2-hydroxy-propyl}-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester

HCID 68462199

基本情報

標準SMILES
Cc1cc(-c2nn(CC(O)CN3CCN(c4ccccc4C#N)CC3)c3c2CN(C(=O)OC(C)(C)C)CC3)ccc1Cl
InChIKey
PJNNMPTWLHQOON-UHFFFAOYSA-N
分子式
C32H39ClN6O3
平均分子量
591.1 g/mol

名称と識別子

優先名称
3-(4-Chloro-3-methyl-phenyl)-1-{3-[4-(2-cyano-phenyl)-piperazin-1-yl]-2-hydroxy-propyl}-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 3-(4-chloro-3-methylphenyl)-1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

名称と別名

SCHEMBL2972529PJNNMPTWLHQOON-UHFFFAOYSA-N3-(4-Chloro-3-methyl-phenyl)-1-{3-[4-(2-cyano-phenyl)-piperazin-1-yl]-2-hydroxy-propyl }-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester3-(4-chloro-3-methyl-phenyl)-1-{3-[4-(2-cyano-phenyl)-piperazin-1-yl]-2-hydroxy-propyl}-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester

データベース識別子

PubChem CID
68462199

物性

構造計算による物性

XLogP
4.3
極性表面積
97.9 Ų
水素結合供与体数
1
水素結合受容体数
7
回転可能結合数
8
重原子数
42

関連反応

19 件

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