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
- Product Name1-{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
- CAS2170722-84-4
- CBNumberCB19727398
- MFC20H21F3N4O
- MW390.4
- MDL NumberMFCD34186088
- MOL File2170722-84-4.mol
Chemical Properties
Boiling point | 546.7±50.0 °C(Predicted) |
Density | 1.320±0.06 g/cm3(Predicted) |
storage temp. | Store at -20°C |
solubility | DMSO : 25 mg/mL (64.04 mM; Need ultrasonic) |
pka | 6.14±0.20(Predicted) |
form | Solid |
color | Off-white to light yellow |
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 |
FDA UNII | J241Y80EEO |