2-(4-{3-[3-(4-Chloro-3-methyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxy-propyl}-piperazin-1-yl)-benzonitrile

HCID 17975412

기본 정보

표준 SMILES
Cc1cc(-c2nn(CC(O)CN3CCN(c4ccccc4C#N)CC3)c3c2CNCC3)ccc1Cl
InChIKey
QTRYSUKBHQUQCC-UHFFFAOYSA-N
분자식
C27H31ClN6O
평균 분자량
491 g/mol
단동위원소 질량
490.2247873

이름 및 식별자

우선 이름
2-(4-{3-[3-(4-Chloro-3-methyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxy-propyl}-piperazin-1-yl)-benzonitrile
IUPAC
2-[4-[3-[3-(4-chloro-3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-2-hydroxypropyl]piperazin-1-yl]benzonitrile

이름 및 동의어

SCHEMBL2975986QTRYSUKBHQUQCC-UHFFFAOYSA-N2-(4-{3-[3-(4-chloro-3-methyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4, 3-c]pyridin-1-yl]-2-hydroxy-propyl}-piperazin-1-yl)-benzonitrile2-(4-{3-[3-(4-Chloro-3-methyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin -1-yl]-2-hydroxy-propyl}-piperazin-1-yl)-benzonitrile2-(4-{3-[3-(4-chloro-3-methyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxy-propyl}-piperazin-1-yl)-benzonitrile

데이터베이스 식별자

PubChem CID
17975412

물성

구조 계산 물성

XLogP
3
극성 표면적
80.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
35

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