A1D5X
Summary
| Name: | ~{tert}-butyl 4-[6-[(6-cyanopyridin-3-yl)methylcarbamoyl]-5-oxidanyl-1,7-naphthyridin-2-yl]piperazine-1-carboxylate |
| Formula: | C25 H27 N7 O4 |
| Formal charge: | 0 |
| Formula weight: | 489.526 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{tert}-butyl 4-[6-[(6-cyanopyridin-3-yl)methylcarbamoyl]-5-oxidanyl-1,7-naphthyridin-2-yl]piperazine-1-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H27N7O4/c1-25(2,3)36-24(35)32-10-8-31(9-11-32)20-7-6-18-19(30-20)15-28-21(22(18)33)23(34)29-14-16-4-5-17(12-26)27-13-16/h4-7,13,15,33H,8-11,14H2,1-3H3,(H,29,34) |
| InChIKey | InChI | 1.06 | VXVKDBNSYJRFIQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)N1CCN(CC1)c2ccc3c(O)c(ncc3n2)C(=O)NCc4ccc(nc4)C#N |
| SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)N1CCN(CC1)c2ccc3c(O)c(ncc3n2)C(=O)NCc4ccc(nc4)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)N1CCN(CC1)c2ccc3c(n2)cnc(c3O)C(=O)NCc4ccc(nc4)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)N1CCN(CC1)c2ccc3c(n2)cnc(c3O)C(=O)NCc4ccc(nc4)C#N |
