4-(5-bromo-2-methoxyphenyl)-3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(5-bromo-2-methoxyphenyl)-3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(5-bromo-2-methoxyphenyl)-3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0218 |
| Compound Name: | 4-(5-bromo-2-methoxyphenyl)-3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 466.34 |
| Molecular Formula: | C22 H20 Br N5 O2 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3n2C)n1)=O)c1cc(ccc1OC)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.186 |
| logD: | 1.2948 |
| logSw: | -4.4076 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.273 |
| InChI Key: | SJXMGYKOYGNJAJ-OAHLLOKOSA-N |