N-(2-{[1-(3-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)cyclobutanecarboxamide
Chemical Structure Depiction of
N-(2-{[1-(3-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)cyclobutanecarboxamide
N-(2-{[1-(3-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)cyclobutanecarboxamide
Compound characteristics
| Compound ID: | V025-5927 |
| Compound Name: | N-(2-{[1-(3-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)cyclobutanecarboxamide |
| Molecular Weight: | 398.89 |
| Molecular Formula: | C20 H23 Cl N6 O |
| Smiles: | Cc1c2c(NCCNC(C3CCC3)=O)nc(C)nc2n(c2cccc(c2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5092 |
| logD: | 2.3875 |
| logSw: | -3.4956 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.968 |
| InChI Key: | TWWKXFRLVPSJJX-UHFFFAOYSA-N |