1,5,6,7-Tetrahydro-1-methyl-2-[2-[[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino]-4-pyrimidinyl]-4H-pyrrolo[3,2-c]pyridin-4-one
기본 정보
- CAS
1137825-76-3- 표준 SMILES
CN1CCN(c2ccc(OC(F)(F)F)c(Nc3nccc(-c4cc5c(n4C)CCNC5=O)n3)c2)CC1- InChIKey
CYXABCVHENZAID-UHFFFAOYSA-N- 분자식
- C24H26F3N7O2
- 평균 분자량
- 501.5 g/mol
- 단동위원소 질량
- 501.21000758
이름 및 식별자
- 우선 이름
- 1,5,6,7-Tetrahydro-1-methyl-2-[2-[[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino]-4-pyrimidinyl]-4H-pyrrolo[3,2-c]pyridin-4-one
- IUPAC
- 1-methyl-2-[2-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
이름 및 동의어
1137825-76-31,5,6,7-Tetrahydro-1-methyl-2-[2-[[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino]-4-pyrimidinyl]-4H-pyrrolo[3,2-c]pyridin-4-one1,5,6,7-Tetrahydro-1-methyl-2-(2-((5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl)amino)-4-pyrimidinyl)-4H-pyrrolo(3,2-c)pyridin-4-oneRefChem:221123CHEMBL19335821-Methyl-2-(2-{[5-(4-Methylpiperazin-1-Yl)-2-(Trifluoromethoxy)phenyl]amino}pyrimidin-4-Yl)-1,5,6,7-Tetrahydro-4h-Pyrrolo[3,2-C]pyridin-4-OneSCHEMBL3644766CYXABCVHENZAID-UHFFFAOYSA-NDTXSID101101052BDBM50361088PD085286Q27456228
데이터베이스 식별자
- CAS
1137825-76-3- PubChem CID
- 25210579
- DTXSID
DTXSID101101052- ChEMBL
CHEMBL1933582
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 87.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 766
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