5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(3-fluorophenyl)-7-methyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
Chemical Structure Depiction of
5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(3-fluorophenyl)-7-methyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(3-fluorophenyl)-7-methyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
Compound characteristics
| Compound ID: | G598-2813 |
| Compound Name: | 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(3-fluorophenyl)-7-methyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one |
| Molecular Weight: | 492.51 |
| Molecular Formula: | C25 H25 F N6 O4 |
| Smiles: | CC1c2c(C(N(CC(N3CCC4(CC3)OCCO4)=O)N=1)=O)c(n1cccc1)n(c1cccc(c1)F)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.0265 |
| logD: | 2.0265 |
| logSw: | -2.4365 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.963 |
| InChI Key: | SKRQNZPQGKIHFN-UHFFFAOYSA-N |