Publication details
NMR study of 5-substituted pyrazolo[3,4-c]pyridine derivatives
| Authors | |
|---|---|
| Year of publication | 2008 |
| Type | Article in Periodical |
| Magazine / Source | Magnetic Resonance in Chemistry |
| MU Faculty or unit | |
| Citation | |
| web | DOI: 10.1002/mrc.2226 |
| Doi | http://dx.doi.org/10.1002/mrc.2226 |
| Field | Physical chemistry and theoretical chemistry |
| Keywords | NMR; 1H; 13C; 15N; tautomerism; spin-spin coupling constant; purine; pyrazolo[3.4-c]pyridine; quantum-chemical calculation |
| Attached files | |
| Description | Substituted pyrazolopyridines are potent inhibitors of phosphodiesterases and cyclin-dependent kinases. In this study, NMR was used to investigate the potential N1-H and N2-H tautomerism of 5-substituted pyrazolo[3,4-c]pyridine derivatives. Six compounds were fully characterized by using 1H, 13C, and 15N chemical shifts and indirect 1H-13C and 1H-15N coupling constants. The 1H NMR spectra were measured over a broad range of temperatures. All of the compounds were shown to exist predominantly in the N1-H tautomeric form. Complementary quantum-chemical calculations of the chemical shieldings and indirect spin-spin couplings support the structural conclusions drawn. |
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