C128H159F5N20O25S5 — CID 159482781
2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridine-5-carboxamide;2-(4-butoxy-2-fluorophenyl)-2-methyl-N-methylsulfonyl-6-oxo-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridine-5-carboxamide (PubChem CID 159482781) has the molecular formula C128H159F5N20O25S5 and a molecular weight of 2633.12 g/mol. Its IUPAC name is 2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridine-5-carboxamide;2-(4-butoxy-2-fluorophenyl)-2-methyl-N-methylsulfonyl-6-oxo-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridine-5-carboxamide.
| Compound Name | 2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridine-5-carboxamide;2-(4-butoxy-2-fluorophenyl)-2-methyl-N-methylsulfonyl-6-oxo-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridine-5-carboxamide |
|---|---|
| PubChem CID | 159482781 |
| Molecular Formula | C128H159F5N20O25S5 |
| Molecular Weight | 2633.12 g/mol |
| Exact Mass | 2631.03 |
| IUPAC Name | 2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridine-5-carboxamide;2-(4-butoxy-2-fluorophenyl)-2-methyl-N-methylsulfonyl-6-oxo-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridine-5-carboxamide |
| SMILES | CCCCOc1ccc(C2(C)CC(c3ccn(C(C)C)n3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)c(F)c1.CCCCOc1ccc(C2(C)CC(c3ccn(C(C)C)n3)=C(C(=O)NS(C)(=O)=O)C(=O)N2)c(F)c1.CCCCOc1ccc(C2(C)CC(c3ccn(C4CC4)n3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)c(F)c1.CCCCOc1ccc(C2(C)CC(c3ccn(C4CCC4)n3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)c(F)c1.CCCCOc1ccc(C2(C)CC(c3ccn(C4CCC4)n3)=C(C(=O)NS(C)(=O)=O)C(=O)N2)c(F)c1 |
| InChI | InChI=1S/C27H33FN4O5S.C26H31FN4O5S.C26H33FN4O5S.C25H31FN4O5S.C24H31FN4O5S/c1-3-4-14-37-18-8-11-21(22(28)15-18)27(2)16-20(23-12-13-32(30-23)17-6-5-7-17)24(25(33)29-27)26(34)31-38(35,36)19-9-10-19;1-3-4-13-36-17-7-10-20(21(27)14-17)26(2)15-19(22-11-12-31(29-22)16-5-6-16)23(24(32)28-26)25(33)30-37(34,35)18-8-9-18;1-5-6-13-36-17-7-10-20(21(27)14-17)26(4)15-19(22-11-12-31(29-22)16(2)3)23(24(32)28-26)25(33)30-37(34,35)18-8-9-18;1-4-5-13-35-17-9-10-19(20(26)14-17)25(2)15-18(21-11-12-30(28-21)16-7-6-8-16)22(23(31)27-25)24(32)29-36(3,33)34;1-6-7-12-34-16-8-9-18(19(25)13-16)24(4)14-17(20-10-11-29(27-20)15(2)3)21(22(30)26-24)23(31)28-35(5,32)33/h8,11-13,15,17,19H,3-7,9-10,14,16H2,1-2H3,(H,29,33)(H,31,34);7,10-12,14,16,18H,3-6,8-9,13,15H2,1-2H3,(H,28,32)(H,30,33);7,10-12,14,16,18H,5-6,8-9,13,15H2,1-4H3,(H,28,32)(H,30,33);9-12,14,16H,4-8,13,15H2,1-3H3,(H,27,31)(H,29,32);8-11,13,15H,6-7,12,14H2,1-5H3,(H,26,30)(H,28,31) |
| InChIKey | LXEZWSYAWWAUJZ-UHFFFAOYSA-N |
| XLogP | 16.87 |
| TPSA | 596.95 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 183 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2633.12 |
| LogP ≤ 5 | 16.87 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'} |
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