(2R)-3-(7-methyl-1H-indazol-5-yl)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1-oxopropan-2-yl 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate (HCID 11657395)

기본 정보

표준 SMILES: Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCC3(CCN(C)CC3)CC2)cc2cn[nH]c12
InChIKey: HRZHXNOUBFMSNO-WJOKGBTCSA-N
분자식: C36H44N6O4
평균 분자량: 624.8 g/mol

이름 및 식별자

우선 이름: (2R)-3-(7-methyl-1H-indazol-5-yl)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1-oxopropan-2-yl 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate
IUPAC: [(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate

이름 및 동의어

CHEMBL501603SCHEMBL2969174HRZHXNOUBFMSNO-WJOKGBTCSA-NBDBM50268480(2R)-3-(7-methyl-1H-indazol-5-yl)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1-oxopropan-2-yl 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate(R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(9-methyl-3,9-diaza-spiro[5.5]undecan-3-yl)propan-2-yl 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate

데이터베이스 식별자

PubChem CID: 11657395
ChEMBL: CHEMBL501603

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 111 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 6
무거운 원자 수: 46
형식 전하: 0
복잡도: 1,150

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