2-(3-Cyclopropyl-6-(p-tolyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
기본 정보
- CAS
937606-10-5- 표준 SMILES
Cc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(CC(=O)O)c3n2)cc1- InChIKey
SCHAOSOGFDRVCM-UHFFFAOYSA-N- 분자식
- C19H16F3N3O2
- 평균 분자량
- 375.3 g/mol
- 단동위원소 질량
- 375.11946125
이름 및 식별자
- 우선 이름
- 2-(3-Cyclopropyl-6-(p-tolyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
- IUPAC
- 2-[3-cyclopropyl-6-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid
- 영어명
- 2-[3-Cyclopropyl-6-(p-tolyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid
- 분자식
- C19H16F3N3O2
- 분자량
- 375.34
이름 및 동의어
937606-10-52-(3-Cyclopropyl-6-(p-tolyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid[3-cyclopropyl-6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid2-[3-Cyclopropyl-6-(p-tolyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid2-[3-cyclopropyl-6-(4-methylphenyl)-4-(trifluoromethyl)-1h-pyrazolo[3,4-b]pyridin-1-yl]acetic acid2-[3-cyclopropyl-6-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acidMFCD08697668DTXSID901118891MMB60610SBB024332STK351345AKOS000316409
이름 더 보기
1H-Pyrazolo[3,4-b]pyridine-1-acetic acid, 3-cyclopropyl-6-(4-methylphenyl)-4-(trifluoromethyl)-
CS-0241024EN300-2310562-(3-Cyclopropyl-6-(p-tolyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)aceticacid2-[3-cyclopropyl-6-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridiny l]acetic acid3-Cyclopropyl-6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-1-acetic acid
데이터베이스 식별자
- CAS
937606-10-5- PubChem CID
- 19625284
- DTXSID
DTXSID901118891
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 68 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 561
물리화학적 성질
- 끓는 점
- 566.3 · 566.3±50.0 °C(Predicted)
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.32 · 3.32±0.10(Predicted)
관련 반응
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