C112H165ClF4N18O13 — CID 167665803
3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-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 167665803) has the molecular formula C112H165ClF4N18O13 and a molecular weight of 2083.11 g/mol. Its IUPAC name is 3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-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-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-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 | 167665803 |
| Molecular Formula | C112H165ClF4N18O13 |
| Molecular Weight | 2083.11 g/mol |
| Exact Mass | 2081.24 |
| IUPAC Name | 3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-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)N1CC(Oc2cncc(F)c2)C1.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.COc1ncc(OC2CN(C(C)C)C2)cc1Cl.Cc1cccc(OC2CCN(C(C)C)C2)n1 |
| InChI | InChI=1S/C13H19FN2O2.2C13H20N2O2.2C13H20N2O.C12H17ClN2O2.2C12H17FN2O.C11H15FN2O/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;1-8(2)15-6-10(7-15)17-9-4-11(13)12(16-3)14-5-9;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;1-8(2)14-6-11(7-14)15-10-3-9(12)4-13-5-10/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;4-5,8,10H,6-7H2,1-3H3;5-7,9,11H,3-4,8H2,1-2H3;3-4,7,9,11H,5-6,8H2,1-2H3;3-5,8,11H,6-7H2,1-2H3 |
| InChIKey | SPVIHXCQKKQGKC-UHFFFAOYSA-N |
| XLogP | 18.51 |
| TPSA | 265.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 148 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2083.11 |
| LogP ≤ 5 | 18.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 31 |