JAK
Summary
| Name: | 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine |
| Formula: | C14 H17 N5 |
| Formal charge: | 0 |
| Formula weight: | 255.318 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n4c1nccc1c2c(nc(n2C3CCNCC3)C)c4 |
| InChI | InChI | 1.03 | InChI=1S/C14H17N5/c1-9-18-12-8-17-14-11(4-7-16-14)13(12)19(9)10-2-5-15-6-3-10/h4,7-8,10,15H,2-3,5-6H2,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | XTQACRIFOIASKV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1nc2cnc3[nH]ccc3c2n1C4CCNCC4 |
| SMILES | CACTVS | 3.370 | Cc1nc2cnc3[nH]ccc3c2n1C4CCNCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3 |
