기본 정보
- CAS
866133-59-7- 표준 SMILES
CCOC(=O)c1cnc2c(c(C)nn2-c2ccc(Cl)cc2)c1NCc1ccco1- InChIKey
POPFNGMYQZLHMT-UHFFFAOYSA-N- 분자식
- C21H19ClN4O3
- 평균 분자량
- 410.9 g/mol
- 단동위원소 질량
- 410.1145682
이름 및 식별자
- 우선 이름
- ethyl 1-(4-chlorophenyl)-4-[(2-furylmethyl)amino]-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
- IUPAC
- ethyl 1-(4-chlorophenyl)-4-(furan-2-ylmethylamino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate
- 영어명
- ETHYL 1-(4-CHLOROPHENYL)-4-[(2-FURYLMETHYL)AMINO]-3-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
- 분자식
- C21H19ClN4O3
- 분자량
- 410.85
이름 및 동의어
866133-59-7ethyl 1-(4-chlorophenyl)-4-[(2-furylmethyl)amino]-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylateethyl 1-(4-chlorophenyl)-4-(furan-2-ylmethylamino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylateethyl 1-(4-chlorophenyl)-4-{[(furan-2-yl)methyl]amino}-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylateAKOS0050996967W-0345Ethyl 1-(4-chlorophenyl)-4-((furan-2-ylmethyl)amino)-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylateethyl1-(4-chlorophenyl)-4-{[(furan-2-yl)methyl]amino}-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 1-(4-chlorophenyl)-4-[(2-furanylmethyl)amino]-3-methyl-, ethyl ester
데이터베이스 식별자
- CAS
866133-59-7- PubChem CID
- 1485632
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 82.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 560
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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