1-(1,3-benzothiazol-2-yl)-4-[2-(cyclopentyloxy)-3-methoxyphenyl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(1,3-benzothiazol-2-yl)-4-[2-(cyclopentyloxy)-3-methoxyphenyl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-4-[2-(cyclopentyloxy)-3-methoxyphenyl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0260 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-[2-(cyclopentyloxy)-3-methoxyphenyl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C26 H26 N4 O3 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3s2)n1)=O)c1cccc(c1OC1CCCC1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0818 |
| logD: | 5.0798 |
| logSw: | -4.8487 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.25 |
| InChI Key: | PFKBDOYUIXDBIB-SFHVURJKSA-N |