4-(1,3-benzothiazol-2-yl)-1-{3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one
Chemical Structure Depiction of
4-(1,3-benzothiazol-2-yl)-1-{3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one
4-(1,3-benzothiazol-2-yl)-1-{3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one
Compound characteristics
| Compound ID: | S565-1503 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-{3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one |
| Molecular Weight: | 461.59 |
| Molecular Formula: | C24 H27 N7 O S |
| Smiles: | Cn1c2CCN(Cc2c(c2nncn2CC2CC2)n1)C(CCCc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4553 |
| logD: | 2.4541 |
| logSw: | -2.5184 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 65.863 |
| InChI Key: | VBCVBKAHNTYMAR-UHFFFAOYSA-N |