N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide
Chemical Structure Depiction of
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide
Compound characteristics
| Compound ID: | F747-0491 |
| Compound Name: | N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide |
| Molecular Weight: | 499.57 |
| Molecular Formula: | C27 H29 N7 O3 |
| Smiles: | CC1c2c(C(N(CCCC(NCCc3c(C)noc3C)=O)N=1)=O)c(n1cccc1)n(c1ccccc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.282 |
| logD: | 2.2819 |
| logSw: | -2.6495 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.463 |
| InChI Key: | TVLPHCMGWIWIID-UHFFFAOYSA-N |