N-{(3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylsulfinyl)ethyl]-2-oxoazepan-3-yl}-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

HCID 11180666

기본 정보

표준 SMILES
CS(=O)CCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O
InChIKey
DBCLRSQXKGHQDK-BKVHBMEDSA-N
분자식
C27H32F2N6O4S
평균 분자량
574.6 g/mol

이름 및 식별자

우선 이름
N-{(3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylsulfinyl)ethyl]-2-oxoazepan-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)-1-(2-methylsulfinylethyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

이름 및 동의어

CHEMBL392730N-{(3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylsulfinyl)ethyl]-2-oxoazepan-3-yl}-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamideN-{(3R,6S)-6-(2,3-Difluorophenyl)-1-[2-(methylsulfinyl)ethyl]-2-oxoazepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamideSCHEMBL1198927DBCLRSQXKGHQDK-BKVHBMEDSA-NBDBM50224420N-{(3R,6S)-6-(2,3-Difluorophenyl)-1-[2-(methylsulfinyl)ethyl]-2-oxoazepan-3-yl}-4-(2-oxo-2,3-dihydro-1H-imidazo[4.5-b]pyridin-1-yl)piperidine-1-carboxamide

데이터베이스 식별자

PubChem CID
11180666
ChEMBL
CHEMBL392730

물성

구조 계산 물성

XLogP
1
극성 표면적
134 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
6
무거운 원자 수
40

관련 반응

6건

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