5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
Chemical Structure Depiction of
5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
Compound characteristics
| Compound ID: | F747-0463 |
| Compound Name: | 5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one |
| Molecular Weight: | 502.57 |
| Molecular Formula: | C27 H30 N6 O4 |
| Smiles: | CC1c2c(C(N(CCCC(N3CCC4(CC3)OCCO4)=O)N=1)=O)c(n1cccc1)n(c1ccccc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.0434 |
| logD: | 2.0434 |
| logSw: | -2.142 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.942 |
| InChI Key: | PEPDIBJEJHENPZ-UHFFFAOYSA-N |