((2S,3R)-2-(((5-Chloropyrimidin-2-yl)amino)methyl)-3-methylpiperidin-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone (HCID 89748215)

기본 정보

표준 SMILES: Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ncc(Cl)cn2)c1
InChIKey: NGSXSHQBMOQXPL-DNVCBOLYSA-N
분자식: C21H24ClN7O
평균 분자량: 425.9 g/mol

이름 및 식별자

우선 이름: ((2S,3R)-2-(((5-Chloropyrimidin-2-yl)amino)methyl)-3-methylpiperidin-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
IUPAC: [(2S,3R)-2-[[(5-chloropyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

이름 및 동의어

CHEMBL5760458SCHEMBL15184206NGSXSHQBMOQXPL-DNVCBOLYSA-N((2S,3R)-2-(((5-Chloropyrimidin-2-yl)amino)methyl)-3-methylpiperidin-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanonerac-((2S,3R)-2-(((5-chloropyrimidin-2-yl)amino)methyl)-3-methylpiperidin-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone

데이터베이스 식별자

PubChem CID: 89748215
ChEMBL: CHEMBL5760458

물성

구조 계산 물성

XLogP: 4
극성 표면적: 88.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 5
무거운 원자 수: 30
형식 전하: 0
복잡도: 568

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