K7R
Summary
| Name: | 1-[(3~{S})-3-(2~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-yl-ethanone |
| Formula: | C17 H18 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 326.416 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(3~{S})-3-(2~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-yl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H18N4OS/c22-15(9-12-5-8-23-11-12)21-7-2-3-13(10-21)16-14-4-1-6-18-17(14)20-19-16/h1,4-6,8,11,13H,2-3,7,9-10H2,(H,18,19,20)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | YFQQTIRINPYCBC-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1cscc1)N2CCC[C@@H](C2)c3[nH]nc4ncccc34 |
| SMILES | CACTVS | 3.385 | O=C(Cc1cscc1)N2CCC[CH](C2)c3[nH]nc4ncccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c([nH]nc2nc1)[C@H]3CCCN(C3)C(=O)Cc4ccsc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c([nH]nc2nc1)C3CCCN(C3)C(=O)Cc4ccsc4 |
