C104H152F9N17O12 — CID 159743403
2-(1-tert-butyl-4-methylpyrrolidin-3-yl)oxypyridine;6-(1-tert-butylpyrrolidin-3-yl)oxy-3-fluoro-2-methoxypyridine;2-(1-tert-butylpyrrolidin-3-yl)oxy-5-fluoropyridine;2-(1-tert-butylpyrrolidin-3-yl)oxy-6-methoxypyridine;2-(difluoromethoxy)-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;2-(difluoromethoxy)-5-(1-propan-2-ylpiperidin-4-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 159743403) has the molecular formula C104H152F9N17O12 and a molecular weight of 2003.45 g/mol. Its IUPAC name is 2-(1-tert-butyl-4-methylpyrrolidin-3-yl)oxypyridine;6-(1-tert-butylpyrrolidin-3-yl)oxy-3-fluoro-2-methoxypyridine;2-(1-tert-butylpyrrolidin-3-yl)oxy-5-fluoropyridine;2-(1-tert-butylpyrrolidin-3-yl)oxy-6-methoxypyridine;2-(difluoromethoxy)-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;2-(difluoromethoxy)-5-(1-propan-2-ylpiperidin-4-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-(1-tert-butyl-4-methylpyrrolidin-3-yl)oxypyridine;6-(1-tert-butylpyrrolidin-3-yl)oxy-3-fluoro-2-methoxypyridine;2-(1-tert-butylpyrrolidin-3-yl)oxy-5-fluoropyridine;2-(1-tert-butylpyrrolidin-3-yl)oxy-6-methoxypyridine;2-(difluoromethoxy)-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;2-(difluoromethoxy)-5-(1-propan-2-ylpiperidin-4-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 | 159743403 |
| Molecular Formula | C104H152F9N17O12 |
| Molecular Weight | 2003.45 g/mol |
| Exact Mass | 2002.17 |
| IUPAC Name | 2-(1-tert-butyl-4-methylpyrrolidin-3-yl)oxypyridine;6-(1-tert-butylpyrrolidin-3-yl)oxy-3-fluoro-2-methoxypyridine;2-(1-tert-butylpyrrolidin-3-yl)oxy-5-fluoropyridine;2-(1-tert-butylpyrrolidin-3-yl)oxy-6-methoxypyridine;2-(difluoromethoxy)-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;2-(difluoromethoxy)-5-(1-propan-2-ylpiperidin-4-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)(C)N1CCC(Oc2ccc(F)cn2)C1.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.CC1CN(C(C)(C)C)CC1Oc1ccccn1.COc1cccc(OC2CCN(C(C)(C)C)C2)n1.COc1nc(OC2CCN(C(C)(C)C)C2)ccc1F.Cc1ccc(OC2CN(C(C)C)C2)nn1 |
| InChI | InChI=1S/C14H20F2N2O2.C14H21FN2O2.C14H22N2O2.C14H22N2O.C13H19FN2O.C12H15F3N2O.C12H16F2N2O2.C11H17N3O/c1-10(2)18-7-5-11(6-8-18)19-12-3-4-13(17-9-12)20-14(15)16;1-14(2,3)17-8-7-10(9-17)19-12-6-5-11(15)13(16-12)18-4;1-14(2,3)16-9-8-11(10-16)18-13-7-5-6-12(15-13)17-4;1-11-9-16(14(2,3)4)10-12(11)17-13-7-5-6-8-15-13;1-13(2,3)16-7-6-11(9-16)17-12-5-4-10(14)8-15-12;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)14-6-10(7-14)15-11-5-4-9(3)12-13-11/h3-4,9-11,14H,5-8H2,1-2H3;5-6,10H,7-9H2,1-4H3;5-7,11H,8-10H2,1-4H3;5-8,11-12H,9-10H2,1-4H3;4-5,8,11H,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 |
| InChIKey | NCTANNHGRUQOAP-UHFFFAOYSA-N |
| XLogP | 18.79 |
| TPSA | 252.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 142 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2003.45 |
| LogP ≤ 5 | 18.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 29 |