[(2S)-4,4-difluoro-2-{[(pyridin-3-yl)oxy]methyl}pyrrolidin-1-yl](3',5'-dimethyl-1'-propyl-1H,1'H-[3,4'-bipyrazol]-5-yl)methanone
Chemical Structure Depiction of
[(2S)-4,4-difluoro-2-{[(pyridin-3-yl)oxy]methyl}pyrrolidin-1-yl](3',5'-dimethyl-1'-propyl-1H,1'H-[3,4'-bipyrazol]-5-yl)methanone
[(2S)-4,4-difluoro-2-{[(pyridin-3-yl)oxy]methyl}pyrrolidin-1-yl](3',5'-dimethyl-1'-propyl-1H,1'H-[3,4'-bipyrazol]-5-yl)methanone
Compound characteristics
| Compound ID: | CM4579-5819 |
| Compound Name: | [(2S)-4,4-difluoro-2-{[(pyridin-3-yl)oxy]methyl}pyrrolidin-1-yl](3',5'-dimethyl-1'-propyl-1H,1'H-[3,4'-bipyrazol]-5-yl)methanone |
| Molecular Weight: | 444.48 |
| Molecular Formula: | C22 H26 F2 N6 O2 |
| Smiles: | CCCn1c(C)c(c2cc(C(N3CC(C[C@H]3COc3cccnc3)(F)F)=O)[nH]n2)c(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.4445 |
| logD: | 2.4364 |
| logSw: | -2.4249 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.599 |
| InChI Key: | LTAGYHUDWAUBOE-MRXNPFEDSA-N |