{(5S)-5-[(pyridin-4-yl)oxy]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl}[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methanone
Chemical Structure Depiction of
{(5S)-5-[(pyridin-4-yl)oxy]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl}[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methanone
{(5S)-5-[(pyridin-4-yl)oxy]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl}[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methanone
Compound characteristics
| Compound ID: | SB69-0513 |
| Compound Name: | {(5S)-5-[(pyridin-4-yl)oxy]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl}[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methanone |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C21 H23 N7 O2 |
| Smiles: | C1CN(CCN(C1)c1ncccn1)C(c1cc2C[C@@H](Cn2n1)Oc1ccncc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1389 |
| logD: | 1.1388 |
| logSw: | -1.3899 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.559 |
| InChI Key: | LKZBTMBZJVIBKH-GOSISDBHSA-N |