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기본 정보
- CAS
625115-53-9- 표준 SMILES
CCOC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N- InChIKey
KRAWHPFLLSOTJI-UHFFFAOYSA-N- 분자식
- C21H21FN8O2
- 평균 분자량
- 436.4 g/mol
이름 및 식별자
- 우선 이름
- Ethyl (4,6-diamino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)(methyl)carbamate
- IUPAC
- ethyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-N-methylcarbamate
- 영어명
- ethyl (4,6-diamino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b] pyridin-3-yl)pyrimidin-5-yl)(methyl)carbamate
- 분자식
- C21H21FN8O2
- 분자량
- 436.4422432
이름 및 동의어
625115-53-9Ethyl (4,6-diamino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)(methyl)carbamateEthyl 4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl(methyl)carbamate4C3L5UK7C6SCHEMBL5477000KRAWHPFLLSOTJI-UHFFFAOYSA-NCarbamic acid, [4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]methyl-, ethyl esterRiociguat ImRiociguat-16Riociguat EP Impurity 16Lioxiguanidine Impurity 16ethyl (4,6-diamino-2-(1-(2-fluorobenzyl)-
이름 더 보기
ethyl (4,6-diamino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b] pyridin-3-yl)pyrimidin-5-yl)(methyl)carbamate[4,6-Diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]methylcarbamic acid ethyl esterRiociguat Impurity 11/Ethyl(4,6-diamino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)(methyl)carbamateCarbamic acid, [4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]methyl-, ethyl ester (9CI)
물성
구조 계산 물성보충 중
- XLogP
- 1.9
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 633
물리화학적 성질
- 끓는 점
- 576.1 · 576.1±50.0 °C(Predicted)
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.6 · 1.60±0.50(Predicted)
화학 및 산업
공급사23 곳
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