tert-butyl 3-(1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)-5-(6-methoxy-5-(methyl sulfonamido)pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
기본 정보
- 표준 SMILES
COc1ncc(-c2cnc3c(c2)c(-c2c(C)nn(Cc4cccc(F)c4)c2C)cn3C(=O)OC(C)(C)C)cc1NS(C)(=O)=O- InChIKey
VEJSKMRVZVHYND-UHFFFAOYSA-N- 분자식
- C31H33FN6O5S
- 평균 분자량
- 620.7 g/mol
이름 및 식별자
- 우선 이름
- tert-butyl 3-(1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)-5-(6-methoxy-5-(methyl sulfonamido)pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
- IUPAC
- tert-butyl 3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylate
이름 및 동의어
SCHEMBL15556983VEJSKMRVZVHYND-UHFFFAOYSA-Ntert-butyl 3-(1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)-5-(6-methoxy-5-(methyl sulfonamido)pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylatetert-butyl 3-(1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)-5-(6-methoxy-5-(methylsulfonamido)pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 90031029
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 139 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,100
관련 반응
2건
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