JWK
Summary
| Name: | 2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol |
| Formula: | C16 H15 F N4 O |
| Formal charge: | 0 |
| Formula weight: | 298.315 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H15FN4O/c1-16(2,22)11-8-20-15(18)14-10(11)3-4-12(21-14)9-5-6-19-13(17)7-9/h3-8,22H,1-2H3,(H2,18,20) |
| InChIKey | InChI | 1.03 | XVUSMHCLFMFBQR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)c1cnc(N)c2nc(ccc12)c3ccnc(F)c3 |
| SMILES | CACTVS | 3.385 | CC(C)(O)c1cnc(N)c2nc(ccc12)c3ccnc(F)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(c1cnc(c2c1ccc(n2)c3ccnc(c3)F)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(c1cnc(c2c1ccc(n2)c3ccnc(c3)F)N)O |
