4,5-Dihydro-6-methyl-7-[3-(trifluoromethyl)phenyl]-4-[[4[[3-(trifluoromethyl)phenyl]methyl]1-piperazinyl]acetyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, hydrochloride

HCID 131716670
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기본 정보

표준 SMILES
CC1=C(c2cccc(C(F)(F)F)c2)n2ncc(C#N)c2N(C(=O)CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1.Cl
InChIKey
CRAMEKVOTADZFK-UHFFFAOYSA-N
분자식
C29H27ClF6N6O
평균 분자량
625 g/mol
단동위원소 질량
624.1839062

이름 및 식별자

우선 이름
4,5-Dihydro-6-methyl-7-[3-(trifluoromethyl)phenyl]-4-[[4[[3-(trifluoromethyl)phenyl]methyl]1-piperazinyl]acetyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, hydrochloride
IUPAC
6-methyl-7-[3-(trifluoromethyl)phenyl]-4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;hydrochloride

이름 및 동의어

CRAMEKVOTADZFK-UHFFFAOYSA-N4,5-Dihydro-6-methyl-7-[3-(trifluoromethyl)phenyl]-4-[[4[[3-(trifluoromethyl)phenyl]methyl]1-piperazinyl]acetyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, hydrochloride4,5-Dihydro-6-methyl-7-[3-(trifluoromethyl)phenyl]-4[[4[[3-(trifluoromethyl)phenyl]methyl]1-piperazinyl]acetyl]pyrazolo[1,5-a]pyrimidine3-carbonitrile, hydrochloride

데이터베이스 식별자

PubChem CID
131716670

물성

구조 계산 물성

극성 표면적
68.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
11
회전 가능 결합 수
5
무거운 원자 수
43

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