A1E46
Summary
| Name: | 7-oxidanylidene-~{N}-[(1~{S})-1-[4-(trifluoromethyl)phenyl]propyl]-2,4,5,6-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide |
| Formula: | C17 H17 F3 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 366.338 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-oxidanylidene-~{N}-[(1~{S})-1-[4-(trifluoromethyl)phenyl]propyl]-2,4,5,6-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H17F3N4O2/c1-2-12(9-3-5-10(6-4-9)17(18,19)20)22-16(26)14-11-7-8-21-15(25)13(11)23-24-14/h3-6,12H,2,7-8H2,1H3,(H,21,25)(H,22,26)(H,23,24)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | ABWGCLJAERQLEF-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](NC(=O)c1[nH]nc2C(=O)NCCc12)c3ccc(cc3)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CC[CH](NC(=O)c1[nH]nc2C(=O)NCCc12)c3ccc(cc3)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](c1ccc(cc1)C(F)(F)F)NC(=O)c2c3c(n[nH]2)C(=O)NCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(c1ccc(cc1)C(F)(F)F)NC(=O)c2c3c(n[nH]2)C(=O)NCC3 |
