2-(3-Cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
기본 정보
- CAS
937607-32-4- 표준 SMILES
COc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(CC(=O)O)c3n2)cc1- InChIKey
FUUJNGVUNBCQHX-UHFFFAOYSA-N- 분자식
- C19H17F2N3O3
- 평균 분자량
- 373.4 g/mol
- 단동위원소 질량
- 373.12379774
이름 및 식별자
- 우선 이름
- 2-(3-Cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
- IUPAC
- 2-[3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid
- 영어명
- 2-[3-Cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid
- 분자식
- C19H17F2N3O3
- 분자량
- 373.35
이름 및 동의어
937607-32-42-(3-Cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid[3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid2-[3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid2-[3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acidMFCD08697754CHEMBL4987437DTXSID701119148SBB024367STK351380AKOS000317007CS-0325720
이름 더 보기
1H-Pyrazolo[3,4-b]pyridine-1-acetic acid, 3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-
2-(3-Cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)aceticacid2-[4-(difluoromethyl)-3-cyclopropyl-6-(4-methoxyphenyl)pyrazolo[5,4-b]pyridiny l]acetic acid3-Cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine-1-acetic acid
데이터베이스 식별자
- CAS
937607-32-4- PubChem CID
- 19625370
- DTXSID
DTXSID701119148- ChEMBL
CHEMBL4987437
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 77.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 540
관련 반응
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