2-Amino-N-(1-(2,4-difluoro-benzyloxymethyl)-2-oxo-2-[3-oxo-3a-pyridin-2-ylmethyl-2-(2,2,2-trifluoro-ethyl)-2,3,3a,4,6,7-hexahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethyl]-2-methyl-propionamide

HCID 22137455

기본 정보

표준 SMILES
CC(C)(N)C(=O)NC(COCc1ccc(F)cc1F)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)C2(Cc2ccccn2)C1
InChIKey
QUAJHCSLZMRTTM-UHFFFAOYSA-N
분자식
C28H31F5N6O4
평균 분자량
610.6 g/mol

이름 및 식별자

우선 이름
2-Amino-N-(1-(2,4-difluoro-benzyloxymethyl)-2-oxo-2-[3-oxo-3a-pyridin-2-ylmethyl-2-(2,2,2-trifluoro-ethyl)-2,3,3a,4,6,7-hexahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethyl]-2-methyl-propionamide
IUPAC
2-amino-N-[3-[(2,4-difluorophenyl)methoxy]-1-oxo-1-[3-oxo-3a-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-2-yl]-2-methylpropanamide

이름 및 동의어

2-Amino-N-(1-(2,4-difluoro-benzyloxymethyl)-2-oxo-2-[3-oxo-3a-pyridin-2-ylmethyl-2-(2,2,2-trifluoro-ethyl)-2,3,3a,4,6,7-hexahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethyl]-2-methyl-propionamide2-amino-N-(1-(2,4-difluoro-benzyloxymethyl)-2-oxo-2-(3-oxo-3a-pyridin-2-ylmethyl-2-(2,2,2-trifluoro-ethyl)-2,3,3a,4,6,7-hexahydro-pyrazolo[4,3-c]pyridin-5-yl)-ethyl)-2-methyl-propionamide2-Amino-N-{1-(2,4-difluoro-benzyloxymethyl)-2-oxo-2-[3-oxo-3a-pyridin-2-ylmethyl-2-(2,2,2-trifluoro-ethyl)-2,3,3a,4,6,7-hexahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethyl}-2-methyl-propionamideSCHEMBL1147469

데이터베이스 식별자

PubChem CID
22137455

물성

구조 계산 물성

XLogP
1.4
극성 표면적
130 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
12
회전 가능 결합 수
10
무거운 원자 수
43

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