N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide
Chemical Structure Depiction of
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide
Compound characteristics
| Compound ID: | E591-0118 |
| Compound Name: | N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide |
| Molecular Weight: | 532.69 |
| Molecular Formula: | C29 H40 N8 O2 |
| Smiles: | COc1cccc(c1)N1CCN(CC1)c1ccc2nnc(CCC(NCC3CCN(C3)C3CCCC3)=O)n2n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6355 |
| logD: | -1.965 |
| logSw: | -2.9733 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.516 |
| InChI Key: | ACEXXRSMNGGTAW-JOCHJYFZSA-N |