3-((3R,4S)-4-Methyl-3-(Methyl(7H-pyrrolo[2,3-d]pyriMidin-4-yl)aMino)piperidin-1-yl)-3-oxopropanenitrile
- Product Name3-((3R,4S)-4-Methyl-3-(Methyl(7H-pyrrolo[2,3-d]pyriMidin-4-yl)aMino)piperidin-1-yl)-3-oxopropanenitrile
- CAS1092578-46-5
- CBNumberCB62642729
- MFC16H20N6O
- MW312.3696
- EINECS-0
- MDL NumberMFCD23160057
- MOL File1092578-46-5.mol
Chemical Properties
| Melting point | >108°C (dec.) |
| Density | 1.296 |
| storage temp. | Refrigerator |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated) |
| form | Solid |
| pka | 6.04±0.60(Predicted) |
| color | Pale Yellow to Yellow |
| InChI | InChI=1/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13-/s3 |
| InChIKey | UJLAWZDWDVHWOW-PZILLZCRNA-N |
| SMILES | C(#N)CC(N1CC[C@H](C)[C@@H](N(C)C2=NC=NC3NC=CC=32)C1)=O |&1:7,9,r| |
| FDA UNII | B64WR5WNB7 |