기본 정보
- CAS
860785-55-3- 표준 SMILES
CCOC(=O)c1cnc2c(c(C)nn2CC)c1NCc1cccc(C(F)(F)F)c1- InChIKey
ZLKVRZWPJZUHFT-UHFFFAOYSA-N- 분자식
- C20H21F3N4O2
- 평균 분자량
- 406.4 g/mol
- 단동위원소 질량
- 406.16166041
이름 및 식별자
- 우선 이름
- ethyl 1-ethyl-3-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
- IUPAC
- ethyl 1-ethyl-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
- 영어명
- ETHYL 1-ETHYL-3-METHYL-4-([3-(TRIFLUOROMETHYL)BENZYL]AMINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
- 분자식
- C20H21F3N4O2
- 분자량
- 406.4
이름 및 동의어
860785-55-3ethyl 1-ethyl-3-methyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylateethyl 1-ethyl-3-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylateethyl 1-ethyl-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylateAKOS005081443SR-0100030897812W-0043SR-01000308978-1ethyl1-ethyl-3-methyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylateETHYL 1-ETHYL-3-METHYL-4-([3-(TRIFLUOROMETHYL)BENZYL]AMINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 1-ethyl-3-methyl-4-[[[3-(trifluoromethyl)phenyl]methyl]amino]-, ethyl ester
데이터베이스 식별자
- CAS
860785-55-3- PubChem CID
- 1473452
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 69 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 562
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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