(R)-1-(3-(4-Bromo-phenyl)-1-[3-[4-(5-chloro-2-methyl-phenyl)-piperazin-1-yl]-2-hydroxy-propyl]-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl)-ethanone

HCID 10153173

기본 정보

표준 SMILES
CC(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)C1
InChIKey
HZFUQRMSEFBFED-XMMPIXPASA-N
분자식
C28H33BrClN5O2
평균 분자량
586.9 g/mol
단동위원소 질량
585.15062

이름 및 식별자

우선 이름
(R)-1-(3-(4-Bromo-phenyl)-1-[3-[4-(5-chloro-2-methyl-phenyl)-piperazin-1-yl]-2-hydroxy-propyl]-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl)-ethanone
IUPAC
1-[3-(4-bromophenyl)-1-[(2R)-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

이름 및 동의어

(R)-1-(3-(4-Bromo-phenyl)-1-[3-[4-(5-chloro-2-methyl-phenyl)-piperazin-1-yl]-2-hydroxy-propyl]-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl)-ethanone(R)-1-(3-(4-Bromo-phenyl)-1-{3-[4-(5-chloro-2-methyl-phenyl)-piperazin-1-yl]-2-hydroxy-propyl}-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl)-ethanoneSCHEMBL2976629HZFUQRMSEFBFED-XMMPIXPASA-N

데이터베이스 식별자

PubChem CID
10153173

물성

구조 계산 물성

XLogP
3.9
극성 표면적
64.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
37

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