![1-{2,4-dimethyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-y l}-2-{1-[2-(trifluoromethyl)pyridin-4-yl]azetidin-3-yl }ethan-1-one 구조식 이미지](/CAS/20210305/GIF/2170722-84-4.gif)
1-{2,4-dimethyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-y l}-2-{1-[2-(trifluoromethyl)pyridin-4-yl]azetidin-3-yl }ethan-1-one
한글명:1-{2,4-dimethyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-y l}-2-{1-[2-(trifluoromethyl)pyridin-4-yl]azetidin-3-yl }ethan-1-one
카스 번호2170722-84-4
상품명:1-{2,4-dimethyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-y l}-2-{1-[2-(trifluoromethyl)pyridin-4-yl]azetidin-3-yl }ethan-1-one
CBNumberCB19727398
분자식C20H21F3N4O
포뮬러 무게390.4
MOL 파일2170722-84-4.mol
화학적 성질
| 끓는 점 | 546.7±50.0 °C(Predicted) |
| 밀도 | 1.320±0.06 g/cm3(Predicted) |
| 저장 조건 | Store at -20°C |
| 용해도 | DMSO : 25 mg/mL (64.04 mM; Need ultrasonic) |
| 산도 계수 (pKa) | 6.14±0.20(Predicted) |
| InChI | InChI=1S/C20H21F3N4O/c1-12-5-13(2)25-17-11-27(10-16(12)17)19(28)6-14-8-26(9-14)15-3-4-24-18(7-15)20(21,22)23/h3-5,7,14H,6,8-11H2,1-2H3 |
| InChIKey | DTCZNKWBDTXEBS-UHFFFAOYSA-N |
| SMILES | C(=O)(N1CC2=C(C)C=C(C)N=C2C1)CC1CN(C2C=CN=C(C(F)(F)F)C=2)C1 |
