OIJ
Summary
| Name: | 5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one |
| Formula: | C25 H22 F N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 443.473 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H22FN5O2/c26-18-4-1-15(2-5-18)24-23(16-3-6-20-17(13-16)14-22(33)28-20)21-7-10-27-25(31(21)29-24)30-11-8-19(32)9-12-30/h1-7,10,13,19,32H,8-9,11-12,14H2,(H,28,33) |
| InChIKey | InChI | 1.06 | UWIJVELUZWBFEU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1CCN(CC1)c2nccc3n2nc(c4ccc(F)cc4)c3c5ccc6NC(=O)Cc6c5 |
| SMILES | CACTVS | 3.385 | OC1CCN(CC1)c2nccc3n2nc(c4ccc(F)cc4)c3c5ccc6NC(=O)Cc6c5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(c3ccnc(n3n2)N4CCC(CC4)O)c5ccc6c(c5)CC(=O)N6)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(c3ccnc(n3n2)N4CCC(CC4)O)c5ccc6c(c5)CC(=O)N6)F |
