8WP
Summary
| Name: | 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide |
| Formula: | C9 H7 F3 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 260.173 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-[4-oxidanylidene-2-(trifluoromethyl)-5~{H}-pyrazolo[1,5-a]pyrazin-6-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(=O)CC1=Cn2nc(cc2C(=O)N1)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C9H7F3N4O2/c10-9(11,12)6-2-5-8(18)14-4(1-7(13)17)3-16(5)15-6/h2-3H,1H2,(H2,13,17)(H,14,18) |
| InChIKey | InChI | 1.03 | NUSDSBLRWBKVLY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CC1=Cn2nc(cc2C(=O)N1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | NC(=O)CC1=Cn2nc(cc2C(=O)N1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2n(nc1C(F)(F)F)C=C(NC2=O)CC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2n(nc1C(F)(F)F)C=C(NC2=O)CC(=O)N |
