C112H164F9N21O16 — CID 161086527
2-(difluoromethoxy)-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;2-(difluoromethoxy)-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-fluoro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methyl-6-(1-propan-2-ylazetidin-3-yl)oxypyridazine;2-(1-propan-2-ylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine (PubChem CID 161086527) has the molecular formula C112H164F9N21O16 and a molecular weight of 2231.66 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;2-(difluoromethoxy)-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-fluoro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methyl-6-(1-propan-2-ylazetidin-3-yl)oxypyridazine;2-(1-propan-2-ylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine.
| Compound Name | 2-(difluoromethoxy)-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;2-(difluoromethoxy)-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-fluoro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methyl-6-(1-propan-2-ylazetidin-3-yl)oxypyridazine;2-(1-propan-2-ylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine |
|---|---|
| PubChem CID | 161086527 |
| Molecular Formula | C112H164F9N21O16 |
| Molecular Weight | 2231.66 g/mol |
| Exact Mass | 2230.25 |
| IUPAC Name | 2-(difluoromethoxy)-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;2-(difluoromethoxy)-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-fluoro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methyl-6-(1-propan-2-ylazetidin-3-yl)oxypyridazine;2-(1-propan-2-ylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine |
| SMILES | CC(C)N1CC(Oc2ccc(OC(F)F)nc2)C1.CC(C)N1CC(Oc2cccc(C(F)(F)F)n2)C1.CC(C)N1CCC(Oc2ccc(OC(F)F)nc2)CC1.COc1ccc(OC2CCN(C(C)C)C2)cn1.COc1ncc(OC2CCN(C(C)C)CC2)cc1F.COc1ncc(OC2CCN(C(C)C)CC2)cn1.COc1ncc(OC2CN(C(C)C)C2)cc1F.COc1ncc(OC2CN(C(C)C)C2)cn1.Cc1ccc(OC2CN(C(C)C)C2)nn1 |
| InChI | InChI=1S/C14H20F2N2O2.C14H21FN2O2.C13H21N3O2.C13H20N2O2.C12H15F3N2O.C12H16F2N2O2.C12H17FN2O2.C11H17N3O2.C11H17N3O/c1-10(2)18-7-5-11(6-8-18)19-12-3-4-13(17-9-12)20-14(15)16;1-10(2)17-6-4-11(5-7-17)19-12-8-13(15)14(18-3)16-9-12;1-10(2)16-6-4-11(5-7-16)18-12-8-14-13(17-3)15-9-12;1-10(2)15-7-6-12(9-15)17-11-4-5-13(16-3)14-8-11;1-8(2)17-6-9(7-17)18-11-5-3-4-10(16-11)12(13,14)15;1-8(2)16-6-10(7-16)17-9-3-4-11(15-5-9)18-12(13)14;1-8(2)15-6-10(7-15)17-9-4-11(13)12(16-3)14-5-9;1-8(2)14-6-10(7-14)16-9-4-12-11(15-3)13-5-9;1-8(2)14-6-10(7-14)15-11-5-4-9(3)12-13-11/h3-4,9-11,14H,5-8H2,1-2H3;8-11H,4-7H2,1-3H3;8-11H,4-7H2,1-3H3;4-5,8,10,12H,6-7,9H2,1-3H3;3-5,8-9H,6-7H2,1-2H3;3-5,8,10,12H,6-7H2,1-2H3;4-5,8,10H,6-7H2,1-3H3;4-5,8,10H,6-7H2,1-3H3;4-5,8,10H,6-7H2,1-3H3 |
| InChIKey | UGOXWQBCRNHDHK-UHFFFAOYSA-N |
| XLogP | 17.74 |
| TPSA | 331.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 158 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2231.66 |
| LogP ≤ 5 | 17.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 37 |