1QK
3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium
Find entries where: 1QK
is present as a standalone ligand in 8 entries
Chemical Component Summary | |
|---|---|
| Name | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium |
| Synonyms | DINACICLIB |
| Identifiers | 2-[(2S)-1-[3-ethyl-7-[(1-oxidanylpyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol |
| Formula | C21 H29 N6 O2 |
| Molecular Weight | 397.494 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCC[C@H]4CCO |
| InChI | InChI=1S/C21H29N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28-29H,2-4,7-8,10-11,13H2,1H3/q+1/t18-/m0/s1 |
| InChIKey | WBUFFOKXERTKGU-SFHVURJKSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 1 |
| Atom Count | 58 |
| Chiral Atom Count | 1 |
| Bond Count | 61 |
| Aromatic Bond Count | 16 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 135211563 |
