methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
기본 정보
- CAS
938001-13-9- 표준 SMILES
COC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccc(F)cc1- InChIKey
KPJSDGNQJFPYGC-UHFFFAOYSA-N- 분자식
- C18H16FN3O2
- 평균 분자량
- 325.3 g/mol
- 단동위원소 질량
- 325.12265492
이름 및 식별자
- 우선 이름
- methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
- IUPAC
- methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
- 영어명
- methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
- 분자식
- C18H16FN3O2
- 분자량
- 325.34
이름 및 동의어
938001-13-9methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylateMFCD08558271ZINC12395823methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylateDTXSID901122999SBB024658STK351625AKOS005167779methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylateZINC000012395823CS-0282657
이름 더 보기
1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6-cyclopropyl-1-(4-fluorophenyl)-3-methyl-, methyl ester
EN300-231278CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)OC)C4=CC=C(C=C4)Fmethyl6cyclopropyl1(4fluorophenyl)3methyl1Hpyrazolo(34b)pyridine4carboxylatemethyl6cyclopropyl1(4fluorophenyl)3methylpyrazolo(34b)pyridine4carboxylatemethyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carb oxylatemethyl6-cyclopropyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylateMETHYL6CYCLOPROPYL1(4FLUOROPHENYL)3METHYLPYRAZOLO(54B)PYRIDINE4CARBOXYLATE
데이터베이스 식별자
- CAS
938001-13-9- PubChem CID
- 19616678
- DTXSID
DTXSID901122999
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 57 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 479
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