QPN
Summary
| Name: | 1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one |
| Formula: | C15 H16 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 273.305 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H16FN3O/c1-2-15(20)18-7-6-14-11(10-18)9-17-19(14)13-5-3-4-12(16)8-13/h3-5,8-9H,2,6-7,10H2,1H3 |
| InChIKey | InChI | 1.03 | PBPQRCMCEYVHIP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CCc2n(ncc2C1)c3cccc(F)c3 |
| SMILES | CACTVS | 3.385 | CCC(=O)N1CCc2n(ncc2C1)c3cccc(F)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CCc2c(cnn2c3cccc(c3)F)C1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CCc2c(cnn2c3cccc(c3)F)C1 |
