(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]pyridin-5-yl)-oxo-acetic acid methyl ester

HCID 10281649

기본 정보

표준 SMILES
COC(=O)C(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2CC(O)CN2CCN(c3ccccc3C#N)CC2)C1
InChIKey
SFPOBTDGZXMIHZ-UHFFFAOYSA-N
분자식
C30H33ClN6O4
평균 분자량
577.1 g/mol

이름 및 식별자

우선 이름
(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]pyridin-5-yl)-oxo-acetic acid methyl ester
IUPAC
methyl 2-[3-(4-chloro-3-methylphenyl)-1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetate

이름 및 동의어

tetrahydropyrido-pyrazole, 1CHEMBL572950SCHEMBL2973893BDBM34000SFPOBTDGZXMIHZ-UHFFFAOYSA-N(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]pyridin-5-yl)-oxo-acetic acid methyl ester

데이터베이스 식별자

PubChem CID
10281649
ChEMBL
CHEMBL572950

물성

구조 계산 물성

XLogP
3.2
극성 표면적
115 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
8
무거운 원자 수
41

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