N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

HCID 11387595

기본 정보

CAS
781649-10-3
표준 SMILES
O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(Cc2ccccn2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIKey
RJDQCXSYOMEUKI-NTKDMRAZSA-N
분자식
C30H31F2N7O3
평균 분자량
575.6 g/mol
단동위원소 질량
575.24564429

이름 및 식별자

우선 이름
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
IUPAC
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

이름 및 동의어

CHEMBL392635N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamideSCHEMBL1197392RJDQCXSYOMEUKI-NTKDMRAZSA-NDTXSID301099538BDBM50224412781649-10-3N-[(3R,6S)-6-(2,3-Difluorophenyl)hexahydro-2-oxo-1-(2-pyridinylmethyl)-1H-azepin-3-yl]-4-(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)-1-piperidinecarboxamide

데이터베이스 식별자

CAS
781649-10-3
PubChem CID
11387595
DTXSID
DTXSID301099538
ChEMBL
CHEMBL392635

물성

구조 계산 물성

XLogP
2.3
극성 표면적
111 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
5
무거운 원자 수
42

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6건

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