((2S,3R)-3-Methyl-2-(((5-(trifluoromethyl)pyrimidin-2-yl)amino)methyl)piperidin-1-yl)(5-methyl-2-(pyridin-2-yl)phenyl)methanone (HCID 117728853)

기본 정보

표준 SMILES: Cc1ccc(-c2ccccn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ncc(C(F)(F)F)cn2)c1
InChIKey: SADIGGDWYUDOPY-VGOFRKELSA-N
분자식: C25H26F3N5O
평균 분자량: 469.5 g/mol

이름 및 식별자

우선 이름: ((2S,3R)-3-Methyl-2-(((5-(trifluoromethyl)pyrimidin-2-yl)amino)methyl)piperidin-1-yl)(5-methyl-2-(pyridin-2-yl)phenyl)methanone
IUPAC: (5-methyl-2-pyridin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone

이름 및 동의어

((2S,3R)-3-Methyl-2-(((5-(trifluoromethyl)pyrimidin-2-yl)amino)methyl)piperidin-1-yl)(5-methyl-2-(pyridin-2-yl)phenyl)methanoneCHEMBL5877688SCHEMBL16278944((2S,3R)-3-Methyl-2-(((5-(trifluoromethyl)pyrimidin-2-yl)amino)methyl)piperidin-1-yl) (5-methyl-2-(pyridin-2-yl)phenyl)methanone

데이터베이스 식별자

PubChem CID: 117728853
ChEMBL: CHEMBL5877688

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 71 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 5
무거운 원자 수: 34
형식 전하: 0
복잡도: 669

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