N-(2-{[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V029-4250 |
| Compound Name: | N-(2-{[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 474.52 |
| Molecular Formula: | C25 H26 N6 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c2c(c(C)n1)c(NCCNC(c1ccc3c(c1)OCO3)=O)nc(COC)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.0359 |
| logD: | 2.9499 |
| logSw: | -3.4704 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.362 |
| InChI Key: | MUSZELXGWJOKNR-UHFFFAOYSA-N |