C147H226F2N30O22 — CID 159117430
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)oxypyrazine;3-methoxy-6-(1-propan-2-ylazetidin-3-yl)oxypyridazine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrazine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxypyridine;2-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazine (PubChem CID 159117430) has the molecular formula C147H226F2N30O22 and a molecular weight of 2803.61 g/mol. Its IUPAC name is 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)oxypyrazine;3-methoxy-6-(1-propan-2-ylazetidin-3-yl)oxypyridazine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrazine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxypyridine;2-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazine.
| Compound Name | 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)oxypyrazine;3-methoxy-6-(1-propan-2-ylazetidin-3-yl)oxypyridazine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrazine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxypyridine;2-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazine |
|---|---|
| PubChem CID | 159117430 |
| Molecular Formula | C147H226F2N30O22 |
| Molecular Weight | 2803.61 g/mol |
| Exact Mass | 2801.75 |
| IUPAC Name | 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)oxypyrazine;3-methoxy-6-(1-propan-2-ylazetidin-3-yl)oxypyridazine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrazine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxypyridine;2-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazine |
| SMILES | CC(C)N1CCC(C)(Oc2ccccn2)CC1.CC(C)N1CCC(Oc2cnccn2)C1.COc1ccc(OC2CCN(C(C)C)C2)cn1.COc1ccc(OC2CN(C(C)C)C2)cn1.COc1ccc(OC2CN(C(C)C)C2)nn1.COc1cnc(OC2CCN(C(C)C)CC2)cn1.COc1cnc(OC2CN(C(C)C)C2)cn1.COc1cncc(OC2CN(C(C)C)C2)c1.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 |
| InChI | InChI=1S/C14H21FN2O2.C14H22N2O.2C13H21N3O2.C13H20N2O2.C12H17FN2O2.2C12H18N2O2.3C11H17N3O2.C11H17N3O/c1-10(2)17-6-4-11(5-7-17)19-12-8-13(15)14(18-3)16-9-12;1-12(2)16-10-7-14(3,8-11-16)17-13-6-4-5-9-15-13;1-10(2)16-6-4-11(5-7-16)18-13-9-14-12(17-3)8-15-13;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)15-6-10(7-15)17-9-4-11(13)12(16-3)14-5-9;1-9(2)14-7-12(8-14)16-11-4-10(15-3)5-13-6-11;1-9(2)14-7-11(8-14)16-10-4-5-12(15-3)13-6-10;1-8(2)14-6-9(7-14)16-11-5-12-10(15-3)4-13-11;1-8(2)14-6-10(7-14)16-9-4-12-11(15-3)13-5-9;1-8(2)14-6-9(7-14)16-11-5-4-10(15-3)12-13-11;1-9(2)14-6-3-10(8-14)15-11-7-12-4-5-13-11/h8-11H,4-7H2,1-3H3;4-6,9,12H,7-8,10-11H2,1-3H3;2*8-11H,4-7H2,1-3H3;4-5,8,10,12H,6-7,9H2,1-3H3;4-5,8,10H,6-7H2,1-3H3;4-6,9,12H,7-8H2,1-3H3;4-6,9,11H,7-8H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;4-5,8,10H,6-7H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;4-5,7,9-10H,3,6,8H2,1-2H3 |
| InChIKey | KFGMLMVIOGAJAR-UHFFFAOYSA-N |
| XLogP | 19.66 |
| TPSA | 473.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 201 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2803.61 |
| LogP ≤ 5 | 19.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 52 |