1RS
Summary
| Name: | 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine |
| Formula: | C13 H15 N5 |
| Formal charge: | 0 |
| Formula weight: | 241.292 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 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(ncn2C3CCNCC3)c4 |
| InChI | InChI | 1.03 | InChI=1S/C13H15N5/c1-4-14-5-2-9(1)18-8-17-11-7-16-13-10(12(11)18)3-6-15-13/h3,6-9,14H,1-2,4-5H2,(H,15,16) |
| InChIKey | InChI | 1.03 | VTICMARMQUNXBS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C1CC(CCN1)n2cnc3cnc4[nH]ccc4c23 |
| SMILES | CACTVS | 3.370 | C1CC(CCN1)n2cnc3cnc4[nH]ccc4c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c[nH]c2c1c3c(cn2)ncn3C4CCNCC4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c[nH]c2c1c3c(cn2)ncn3C4CCNCC4 |
