LXX
Summary
| Name: | 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline |
| Formula: | C20 H13 N5 |
| Formal charge: | 0 |
| Formula weight: | 323.351 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-yl-quinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | [nH]1ncc2cc(cnc12)c3ccc4nccc(c5ccncc5)c4c3 |
| SMILES | CACTVS | 3.352 | [nH]1ncc2cc(cnc12)c3ccc4nccc(c5ccncc5)c4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1c3cc4cn[nH]c4nc3)c(ccn2)c5ccncc5 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1c3cc4cn[nH]c4nc3)c(ccn2)c5ccncc5 |
| InChI | InChI | 1.03 | InChI=1S/C20H13N5/c1-2-19-18(17(5-8-22-19)13-3-6-21-7-4-13)10-14(1)15-9-16-12-24-25-20(16)23-11-15/h1-12H,(H,23,24,25) |
| InChIKey | InChI | 1.03 | PYHJWHYHRSDRDJ-UHFFFAOYSA-N |
