A1LZ9
Summary
| Name: | 1-(4-fluorophenyl)-6-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]ethyl]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| Formula: | C31 H31 F N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 542.601 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(4-fluorophenyl)-6-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]ethyl]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C31H31FN4O4/c1-4-20(5-2)28-27-25(31(37)38)17-23(33-29(27)36(35-28)24-13-11-22(32)12-14-24)15-16-39-18-26-19(3)40-30(34-26)21-9-7-6-8-10-21/h6-14,17,20H,4-5,15-16,18H2,1-3H3,(H,37,38) |
| InChIKey | InChI | 1.06 | CTCYZMSETGDZGG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(CC)c1nn(c2ccc(F)cc2)c3nc(CCOCc4nc(oc4C)c5ccccc5)cc(C(O)=O)c13 |
| SMILES | CACTVS | 3.385 | CCC(CC)c1nn(c2ccc(F)cc2)c3nc(CCOCc4nc(oc4C)c5ccccc5)cc(C(O)=O)c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)c1c2c(cc(nc2n(n1)c3ccc(cc3)F)CCOCc4c(oc(n4)c5ccccc5)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)c1c2c(cc(nc2n(n1)c3ccc(cc3)F)CCOCc4c(oc(n4)c5ccccc5)C)C(=O)O |
