1-ethyl-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-[(furan-2-yl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Chemical Structure Depiction of
1-ethyl-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-[(furan-2-yl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
1-ethyl-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-[(furan-2-yl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Compound characteristics
| Compound ID: | E961-1262 |
| Compound Name: | 1-ethyl-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-[(furan-2-yl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione |
| Molecular Weight: | 494.53 |
| Molecular Formula: | C25 H27 F N6 O4 |
| Smiles: | CCn1c2C(N(Cc3ccco3)C(N(CC(N3CCN(CC3)c3ccc(cc3)F)=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8884 |
| logD: | 1.8883 |
| logSw: | -2.2506 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.745 |
| InChI Key: | FKEMPBDQSDWZAH-UHFFFAOYSA-N |