5-Methanesulfonyl-1-[3-[4-(2-nitro-phenyl)-piperazin-1-yl]-propyl]-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

HCID 10121299

기본 정보

표준 SMILES
CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1
InChIKey
WSMOCBZJBCEWGM-UHFFFAOYSA-N
분자식
C27H31F3N6O4S
평균 분자량
592.6 g/mol

이름 및 식별자

우선 이름
5-Methanesulfonyl-1-[3-[4-(2-nitro-phenyl)-piperazin-1-yl]-propyl]-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
IUPAC
5-methylsulfonyl-1-[3-[4-(2-nitrophenyl)piperazin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

이름 및 동의어

5-Methanesulfonyl-1-[3-[4-(2-nitro-phenyl)-piperazin-1-yl]-propyl]-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine5-Methanesulfonyl-1-{3-[4-(2-nitro-phenyl)-piperazin-1-yl]-propyl}-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridineSCHEMBL29698645-Methanesulfonyl-1-{3-[4-(2-nitro-phenyl)-piperazin-1-yl]-propyl}-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-1 H-pyrazolo[4,3-c]pyridine5-Methanesulfonyl-1-{3-[4-(2-nitro-phenyl)-piperazin-1-yl]-propyl}-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4.3-c]pyridine

데이터베이스 식별자

PubChem CID
10121299

물성

구조 계산 물성

XLogP
3.7
극성 표면적
116 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
11
회전 가능 결합 수
7
무거운 원자 수
41

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