1-tert-butyl-3-(4-chloro-phenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine (PP2) Summary
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- 1-tert-butyl-3-(4-chloro-phenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine (PP2) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C.1-C.5-C.4-N.32-3-4-0 C.3-C.4-C.5-N.1 | 0.041 | Rigid Ring |
| 2 | C.1-C.5-C.4-N.1918-3-4-0 C.19-C.4-C.5-N.1 | -173.142 | Rigid |
| 3 | C.1-C.5-C.6-N.76-5-4-0 C.7-C.6-C.5-N.1 | 1.032 | Rigid Ring |
| 4 | C.1-C.5-C.6-C.98-5-4-0 C.9-C.6-C.5-C.1 | -171.546 | Flexible |
| 5 | C.1-N.8-N.7-C.65-6-7-0 C.6-N.7-N.8-C.1 | 1.337 | Rigid Ring |
| 6 | C.1-N.8-C.15-C.1615-14-7-0 C.16-N.15-C.8-C.1 | 62.159 | Flexible |
| 7 | C.1-N.8-C.15-C.1716-14-7-0 C.17-N.15-C.8-C.1 | -69.885 | Flexible |
| 8 | C.1-N.8-C.15-C.1817-14-7-0 C.18-N.15-C.8-C.1 | -178.392 | Flexible |
| 9 | C.1-N.38-C.2-N.32-1-37-0 C.3-N.2-C.38-N.1 | -0.322 | Rigid Ring |
| 10 | C.2-N.3-C.4-C.54-3-2-1 C.5-N.4-C.3-C.2 | 0.411 | Rigid Ring |
| 11 | C.2-N.3-C.4-N.1918-3-2-1 C.19-N.4-C.3-N.2 | 173.62 | Rigid |
| 12 | N.3-C.4-C.5-C.65-4-3-2 N.6-C.5-C.4-C.3 | 176.933 | Rigid Ring |
| 13 | C.4-N.3-C.2-N.3837-1-2-3 C.38-N.2-C.3-N.4 | -0.286 | Rigid Ring |
| 14 | C.4-C.5-C.6-N.76-5-4-3 C.7-C.6-C.5-N.4 | -176.002 | Rigid Ring |
| 15 | C.4-C.5-C.6-C.98-5-4-3 C.9-C.6-C.5-C.4 | 11.42 | Flexible |
| 16 | C.5-C.1-N.8-N.76-7-0-4 C.7-C.8-N.1-N.5 | -0.664 | Rigid Ring |
| 17 | C.5-C.1-N.8-C.1514-7-0-4 C.15-C.8-N.1-C.5 | 179.34 | Flexible |
| 18 | C.5-C.1-N.38-C.21-37-0-4 C.2-C.38-N.1-C.5 | 0.798 | Rigid Ring |
| 19 | C.5-C.6-N.7-N.87-6-5-4 C.8-C.7-N.6-N.5 | -1.428 | Rigid Ring |
| 20 | C.5-C.6-C.9-C.109-8-5-4 C.10-C.9-C.6-C.5 | 52.291 | Flexible |
| 21 | C.5-C.6-C.9-C.1413-8-5-4 C.14-C.9-C.6-C.5 | -134.767 | Flexible |
| 22 | C.6-C.5-C.4-N.1918-3-4-5 C.19-C.4-C.5-N.6 | 3.749 | Rigid |
| 23 | C.6-N.7-N.8-C.1514-7-6-5 C.15-N.8-N.7-C.6 | -178.667 | Flexible |
| 24 | C.6-C.9-C.10-C.1110-9-8-5 C.11-C.10-C.9-C.6 | 172.535 | Rigid |
| 25 | C.6-C.9-C.14-C.1312-13-8-5 C.13-C.14-C.9-C.6 | -172.526 | Rigid |
| 26 | N.7-C.6-C.9-C.109-8-5-6 N.10-C.9-C.6-C.7 | -119.404 | Flexible |
| 27 | N.7-C.6-C.9-C.1413-8-5-6 N.14-C.9-C.6-C.7 | 53.538 | Flexible |
| 28 | N.7-N.8-C.15-C.1615-14-7-6 N.16-N.15-C.8-C.7 | -117.836 | Flexible |
| 29 | N.7-N.8-C.15-C.1716-14-7-6 N.17-N.15-C.8-C.7 | 110.12 | Flexible |
| 30 | N.7-N.8-C.15-C.1817-14-7-6 N.18-N.15-C.8-C.7 | 1.613 | Flexible |
| 31 | N.8-C.1-C.5-C.43-4-0-7 N.4-C.5-C.1-C.8 | 177.404 | Rigid Ring |
| 32 | N.8-C.1-C.5-C.65-4-0-7 N.6-C.5-C.1-C.8 | -0.22 | Rigid Ring |
| 33 | N.8-C.1-N.38-C.21-37-0-7 N.2-C.38-N.1-C.8 | -176.734 | Rigid Ring |
| 34 | N.8-N.7-C.6-C.98-5-6-7 N.9-N.6-C.7-C.8 | 172.007 | Flexible |
| 35 | C.9-C.10-C.11-C.1211-10-9-8 C.12-C.11-C.10-C.9 | 0.661 | Rigid Ring |
| 36 | C.9-C.14-C.13-C.1211-12-13-8 C.12-C.13-C.14-C.9 | -0.998 | Rigid Ring |
| 37 | C.10-C.9-C.14-C.1312-13-8-9 C.13-C.14-C.9-C.10 | 0.421 | Rigid Ring |
| 38 | C.10-C.11-C.12-C.1312-11-10-9 C.13-C.12-C.11-C.10 | -1.255 | Rigid Ring |
| 39 | C.10-C.11-C.12-Cl.2019-11-10-9 C.20-C.12-C.11-Cl.10 | 176.436 | Rigid |
| 40 | C.11-C.10-C.9-C.1413-8-9-10 C.14-C.9-C.10-C.11 | -0.28 | Rigid Ring |
| 41 | C.11-C.12-C.13-C.1413-12-11-10 C.14-C.13-C.12-C.11 | 1.451 | Rigid Ring |
| 42 | C.14-C.13-C.12-Cl.2019-11-12-13 C.20-C.12-C.13-Cl.14 | -176.301 | Rigid |
| 43 | N.38-C.1-C.5-C.43-4-0-37 N.4-C.5-C.1-C.38 | -0.664 | Rigid Ring |
| 44 | N.38-C.1-C.5-C.65-4-0-37 N.6-C.5-C.1-C.38 | -178.288 | Rigid Ring |
| 45 | N.38-C.1-N.8-N.76-7-0-37 N.7-C.8-N.1-N.38 | 177.253 | Rigid Ring |
| 46 | N.38-C.1-N.8-C.1514-7-0-37 N.15-C.8-N.1-C.38 | -2.743 | Flexible |
Dihedrals Histogram