기본 정보
- 표준 SMILES
Cc1ccc(-c2cnn(C)c2)c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ccc(C(F)(F)F)cn2)c1- InChIKey
XHXUTIQEYCEZLE-VGOFRKELSA-N- 분자식
- C25H28F3N5O
- 평균 분자량
- 471.5 g/mol
이름 및 식별자
- 우선 이름
- rac-((2S,3R)-3-methyl-2-(((5-(trifluoromethyl)pyridin-2-yl)amino)methyl)piperidin-1-yl)(5-methyl-2-(1-methyl-1H-pyrazol-4-yl)phenyl)methanone
- IUPAC
- [5-methyl-2-(1-methylpyrazol-4-yl)phenyl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
이름 및 동의어
rac-((2S,3R)-3-methyl-2-(((5-(trifluoromethyl)pyridin-2-yl)amino)methyl)piperidin-1-yl)(5-methyl-2-(1-methyl-1H-pyrazol-4-yl)phenyl)methanoneCHEMBL5958744SCHEMBL15184283((2S,3R)-3-methyl-2-(((5-(trifluoromethyl)pyridin-2-yl)amino) methyl)piperidin-1-yl)(5-methyl-2-(1-methyl-1H-pyrazol-4-yl)phenyl)methanone((2S,3R)-3-Methyl-2-(((5-(trifluoromethyl)pyridin-2-yl)amino)methyl)piperidin-1-yl)(5-methyl-2-(1-methyl-1H-pyrazol-4-yl)phenyl)methanone
데이터베이스 식별자
- PubChem CID
- 89748276
- ChEMBL
CHEMBL5958744
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 63.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 692
관련 반응
16건
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