tert-butyl (+/-)-6-hydroxy-4-(3-methyl-6-(6-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)-1,4-diazepane-1-carboxylate
기본 정보
- 표준 SMILES
Cc1ccc(-n2ncc3cnc(-c4cnn(CC(F)(F)F)c4)cc32)nc1N1CCN(C(=O)OC(C)(C)C)CC(O)C1- InChIKey
KSNBXTLHOAYSRR-UHFFFAOYSA-N- 분자식
- C27H31F3N8O3
- 평균 분자량
- 572.6 g/mol
이름 및 식별자
- 우선 이름
- tert-butyl (+/-)-6-hydroxy-4-(3-methyl-6-(6-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)-1,4-diazepane-1-carboxylate
- IUPAC
- tert-butyl 6-hydroxy-4-[3-methyl-6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepane-1-carboxylate
이름 및 동의어
tert-butyl (+/-)-6-hydroxy-4-(3-methyl-6-(6-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)-1,4-diazepane-1-carboxylateSCHEMBL15400885tert-butyl(+/-)-6-hydroxy-4-(3-methyl-6-(6-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)-1,4-diazepane-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 86707165
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 908
관련 반응
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