NT5
[(2~{R},5~{R})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone
Find entries where: NT5
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | [(2~{R},5~{R})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone |
| Identifiers | [(2~{R},5~{R})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone |
| Formula | C24 H25 F N4 O2 |
| Molecular Weight | 420.479 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1ccc(c(c1)C(=O)N2C[C@@H](CC[C@H]2C)COc3ccc(cn3)F)c4ncccn4 |
| InChI | InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1 |
| InChIKey | NPFDWHQSDBWQLH-QZTJIDSGSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 56 |
| Chiral Atom Count | 2 |
| Bond Count | 59 |
| Aromatic Bond Count | 18 |
Drug Info: DrugBank
| DrugBank ID | DB12158? |
|---|---|
| Name | Filorexant |
| Groups | investigational |
| Description | Filorexant has been used in trials studying the prevention and treatment of Migraine, Headache, Polysomnography, Diabetic Neuropathy, Painful, and Major Depressive Disorder, Recurrent. |
| Synonyms | Filorexant |
| CAS number | 1088991-73-4 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL2107822 |
| PubChem | 25128145 |
| ChEMBL | CHEMBL2107822 |
| CCDC/CSD | VATBID |
