4-[4-(cyclopentyloxy)-3-methoxyphenyl]-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-[4-(cyclopentyloxy)-3-methoxyphenyl]-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-[4-(cyclopentyloxy)-3-methoxyphenyl]-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-2265 |
| Compound Name: | 4-[4-(cyclopentyloxy)-3-methoxyphenyl]-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C27 H28 N4 O3 S |
| Smiles: | Cc1ccc2c(c1)sc(n2)n1c2c(C(CC(N2)=O)c2ccc(c(c2)OC)OC2CCCC2)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3093 |
| logD: | 5.304 |
| logSw: | -5.272 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.164 |
| InChI Key: | VJKIGYXXDTUKMM-IBGZPJMESA-N |