A1KC9
Summary
| Name: | 4-[8-[[(3~{S})-piperidin-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]benzenecarbonitrile |
| Formula: | C19 H19 N5 |
| Formal charge: | 0 |
| Formula weight: | 317.388 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[8-[[(3~{S})-piperidin-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H19N5/c20-11-14-3-5-15(6-4-14)16-10-18(19-22-8-9-24(19)13-16)23-17-2-1-7-21-12-17/h3-6,8-10,13,17,21,23H,1-2,7,12H2/t17-/m0/s1 |
| InChIKey | InChI | 1.06 | UOXKWAOIRXHSBN-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1ccc(cc1)c2cn3ccnc3c(N[C@H]4CCCNC4)c2 |
| SMILES | CACTVS | 3.385 | N#Cc1ccc(cc1)c2cn3ccnc3c(N[CH]4CCCNC4)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C#N)c2cc(c3nccn3c2)N[C@H]4CCCNC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C#N)c2cc(c3nccn3c2)NC4CCCNC4 |
