C89H133F3N14O10 — CID 158783378
3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine (PubChem CID 158783378) has the molecular formula C89H133F3N14O10 and a molecular weight of 1616.12 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine.
| Compound Name | 3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine |
|---|---|
| PubChem CID | 158783378 |
| Molecular Formula | C89H133F3N14O10 |
| Molecular Weight | 1616.12 g/mol |
| Exact Mass | 1615.03 |
| IUPAC Name | 3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine |
| SMILES | CC(C)N1CCC(Oc2ccc(F)cn2)C1.CC(C)N1CCC(Oc2cncc(F)c2)C1.CC1CN(C(C)C)CC1Oc1ccccn1.COc1cccc(OC2CCN(C(C)C)C2)n1.COc1cncc(OC2CCN(C(C)C)C2)c1.COc1nc(OC2CCN(C(C)C)C2)ccc1F.Cc1cccc(OC2CCN(C(C)C)C2)n1 |
| InChI | InChI=1S/C13H19FN2O2.2C13H20N2O2.2C13H20N2O.2C12H17FN2O/c1-9(2)16-7-6-10(8-16)18-12-5-4-11(14)13(15-12)17-3;1-10(2)15-5-4-11(9-15)17-13-6-12(16-3)7-14-8-13;1-10(2)15-8-7-11(9-15)17-13-6-4-5-12(14-13)16-3;1-10(2)15-8-7-12(9-15)16-13-6-4-5-11(3)14-13;1-10(2)15-8-11(3)12(9-15)16-13-6-4-5-7-14-13;1-9(2)15-4-3-11(8-15)16-12-5-10(13)6-14-7-12;1-9(2)15-6-5-11(8-15)16-12-4-3-10(13)7-14-12/h4-5,9-10H,6-8H2,1-3H3;6-8,10-11H,4-5,9H2,1-3H3;4-6,10-11H,7-9H2,1-3H3;4-6,10,12H,7-9H2,1-3H3;4-7,10-12H,8-9H2,1-3H3;5-7,9,11H,3-4,8H2,1-2H3;3-4,7,9,11H,5-6,8H2,1-2H3 |
| InChIKey | IRJDWUNOHDEEQA-UHFFFAOYSA-N |
| XLogP | 14.60 |
| TPSA | 205.21 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 116 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1616.12 |
| LogP ≤ 5 | 14.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |