C112H167Cl4F2N21O14 — CID 160995746
3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-chloro-2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-chloro-2-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-chloro-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyrimidine;4-(6-methoxypyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-methyl-2-(1-propan-2-ylazetidin-3-yl)oxypyridine (PubChem CID 160995746) has the molecular formula C112H167Cl4F2N21O14 and a molecular weight of 2211.51 g/mol. Its IUPAC name is 3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-chloro-2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-chloro-2-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-chloro-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyrimidine;4-(6-methoxypyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-methyl-2-(1-propan-2-ylazetidin-3-yl)oxypyridine.
| Compound Name | 3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-chloro-2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-chloro-2-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-chloro-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyrimidine;4-(6-methoxypyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-methyl-2-(1-propan-2-ylazetidin-3-yl)oxypyridine |
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| PubChem CID | 160995746 |
| Molecular Formula | C112H167Cl4F2N21O14 |
| Molecular Weight | 2211.51 g/mol |
| Exact Mass | 2208.17 |
| IUPAC Name | 3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-chloro-2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-chloro-2-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-chloro-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyrimidine;4-(6-methoxypyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-methyl-2-(1-propan-2-ylazetidin-3-yl)oxypyridine |
| SMILES | CC(C)N1CC(Oc2cncc(F)c2)C1.CC(C)N1CCC(Oc2ccc(Cl)nc2)CC1.CC(C)N1CCC(Oc2cncc(F)c2)CC1.COc1ccc(OC2CN(C(C)C)CC2N)nn1.COc1ncc(OC2CCN(C(C)C)C2)cc1Cl.COc1ncc(OC2CCN(C(C)C)C2)cn1.COc1ncc(OC2CCN(C(C)C)CC2)cc1Cl.COc1ncc(OC2CN(C(C)C)C2)cc1Cl.Cc1ccnc(OC2CN(C(C)C)C2)c1 |
| InChI | InChI=1S/C14H21ClN2O2.C13H19ClN2O2.C13H19ClN2O.C13H19FN2O.C12H17ClN2O2.C12H20N4O2.C12H19N3O2.C12H18N2O.C11H15FN2O/c1-10(2)17-6-4-11(5-7-17)19-12-8-13(15)14(18-3)16-9-12;1-9(2)16-5-4-10(8-16)18-11-6-12(14)13(17-3)15-7-11;1-10(2)16-7-5-11(6-8-16)17-12-3-4-13(14)15-9-12;1-10(2)16-5-3-12(4-6-16)17-13-7-11(14)8-15-9-13;1-8(2)15-6-10(7-15)17-9-4-11(13)12(16-3)14-5-9;1-8(2)16-6-9(13)10(7-16)18-12-5-4-11(17-3)14-15-12;1-9(2)15-5-4-10(8-15)17-11-6-13-12(16-3)14-7-11;1-9(2)14-7-11(8-14)15-12-6-10(3)4-5-13-12;1-8(2)14-6-11(7-14)15-10-3-9(12)4-13-5-10/h8-11H,4-7H2,1-3H3;6-7,9-10H,4-5,8H2,1-3H3;3-4,9-11H,5-8H2,1-2H3;7-10,12H,3-6H2,1-2H3;4-5,8,10H,6-7H2,1-3H3;4-5,8-10H,6-7,13H2,1-3H3;6-7,9-10H,4-5,8H2,1-3H3;4-6,9,11H,7-8H2,1-3H3;3-5,8,11H,6-7H2,1-2H3 |
| InChIKey | TVFLYVKLLKSRFK-UHFFFAOYSA-N |
| XLogP | 18.46 |
| TPSA | 326.19 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 153 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2211.51 |
| LogP ≤ 5 | 18.46 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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