O0H
Summary
| Name: | ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
| Formula: | C23 H25 F3 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 490.478 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H25F3N6O3/c1-3-35-19-12-17-15(13-32(29-17)14-21(33)31-9-7-30(2)8-10-31)11-18(19)28-22(34)16-5-4-6-20(27-16)23(24,25)26/h4-6,11-13H,3,7-10,14H2,1-2H3,(H,28,34) |
| InChIKey | InChI | 1.06 | AIMNCVIDWQOVPW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c4cccc(n4)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCOc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c4cccc(n4)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCOc1cc2c(cc1NC(=O)c3cccc(n3)C(F)(F)F)cn(n2)CC(=O)N4CCN(CC4)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCOc1cc2c(cc1NC(=O)c3cccc(n3)C(F)(F)F)cn(n2)CC(=O)N4CCN(CC4)C |
