C142H127F7N8O25 — CID 159324015
3-fluoro-4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;5-fluoro-4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;5-[2-(4-fluorophenyl)oxolan-2-yl]-N-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridine-2-carboxamide;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-(2-pyridin-4-yloxolan-2-yl)pyridin-2-one (PubChem CID 159324015) has the molecular formula C142H127F7N8O25 and a molecular weight of 2478.59 g/mol. Its IUPAC name is 3-fluoro-4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;5-fluoro-4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;5-[2-(4-fluorophenyl)oxolan-2-yl]-N-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridine-2-carboxamide;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-(2-pyridin-4-yloxolan-2-yl)pyridin-2-one.
| Compound Name | 3-fluoro-4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;5-fluoro-4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;5-[2-(4-fluorophenyl)oxolan-2-yl]-N-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridine-2-carboxamide;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-(2-pyridin-4-yloxolan-2-yl)pyridin-2-one |
|---|---|
| PubChem CID | 159324015 |
| Molecular Formula | C142H127F7N8O25 |
| Molecular Weight | 2478.59 g/mol |
| Exact Mass | 2476.88 |
| IUPAC Name | 3-fluoro-4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;5-fluoro-4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;5-[2-(4-fluorophenyl)oxolan-2-yl]-N-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridine-2-carboxamide;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-(2-pyridin-4-yloxolan-2-yl)pyridin-2-one |
| SMILES | O=C(CO)c1ccc(CNC(=O)c2ccc(C3(c4ccc(F)cc4)CCCO3)cn2)cc1.O=C(CO)c1ccc(Cn2cc(F)c(C3(c4ccc(F)cc4)CCO3)cc2=O)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCCO3)cc2=O)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCO3)c(F)c2=O)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)OCCO3)cc2=O)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccncc4)CCCO3)cc2=O)cc1 |
| InChI | InChI=1S/C25H23FN2O4.C25H24FNO4.2C23H19F2NO4.C23H20FNO5.C23H22N2O4/c26-21-9-6-19(7-10-21)25(12-1-13-32-25)20-8-11-22(27-15-20)24(31)28-14-17-2-4-18(5-3-17)23(30)16-29;26-22-9-7-20(8-10-22)25(12-1-2-14-31-25)21-11-13-27(24(30)15-21)16-18-3-5-19(6-4-18)23(29)17-28;24-18-7-5-17(6-8-18)23(10-12-30-23)19-9-11-26(22(29)21(19)25)13-15-1-3-16(4-2-15)20(28)14-27;24-18-7-5-17(6-8-18)23(9-10-30-23)19-11-22(29)26(13-20(19)25)12-15-1-3-16(4-2-15)21(28)14-27;24-20-7-5-18(6-8-20)23(29-11-12-30-23)19-9-10-25(22(28)13-19)14-16-1-3-17(4-2-16)21(27)15-26;26-16-21(27)18-4-2-17(3-5-18)15-25-12-8-20(14-22(25)28)23(9-1-13-29-23)19-6-10-24-11-7-19/h2-11,15,29H,1,12-14,16H2,(H,28,31);3-11,13,15,28H,1-2,12,14,16-17H2;1-9,11,27H,10,12-14H2;1-8,11,13,27H,9-10,12,14H2;1-10,13,26H,11-12,14-15H2;2-8,10-12,14,26H,1,9,13,15-16H2 |
| InChIKey | LECYNFPEMCTENA-UHFFFAOYSA-N |
| XLogP | 18.04 |
| TPSA | 453.29 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2478.59 |
| LogP ≤ 5 | 18.04 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 32 |