C111H136F5N27O18S5 — CID 162230480
1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (PubChem CID 162230480) has the molecular formula C111H136F5N27O18S5 and a molecular weight of 2391.80 g/mol. Its IUPAC name is 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.
| Compound Name | 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea |
|---|---|
| PubChem CID | 162230480 |
| Molecular Formula | C111H136F5N27O18S5 |
| Molecular Weight | 2391.80 g/mol |
| Exact Mass | 2389.91 |
| IUPAC Name | 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea |
| SMILES | CC(C)Oc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)ccn1.CC(C)c1cc(F)cc(-c2ccnc(C#N)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2cnn(C)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(C2CCOCC2)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CCc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)ccn1 |
| InChI | InChI=1S/C24H30FN5O4S.C23H28FN5O3S.C22H23FN6O3S.C22H30FN5O5S.C20H25FN6O3S/c1-14(2)19-12-18(25)13-20(17-7-9-26-21(11-17)34-16(5)6)23(19)27-24(31)29-35(32,33)22-8-10-30(28-22)15(3)4;1-6-18-11-16(7-9-25-18)20-13-17(24)12-19(14(2)3)22(20)26-23(30)28-33(31,32)21-8-10-29(27-21)15(4)5;1-13(2)18-10-16(23)11-19(15-5-7-25-17(9-15)12-24)21(18)26-22(30)28-33(31,32)20-6-8-29(27-20)14(3)4;1-13(2)16-10-15(23)11-17(14-6-8-33-9-7-14)20(16)24-22(30)26-34(31,32)19-12-18(28(5)25-19)21(29)27(3)4;1-12(2)16-8-15(21)9-17(14-10-22-26(5)11-14)19(16)23-20(28)25-31(29,30)18-6-7-27(24-18)13(3)4/h7-16H,1-6H3,(H2,27,29,31);7-15H,6H2,1-5H3,(H2,26,28,30);5-11,13-14H,1-4H3,(H2,26,28,30);10-14H,6-9H2,1-5H3,(H2,24,26,30);6-13H,1-5H3,(H2,23,25,28) |
| InChIKey | ZVIVDGYBHBKRSW-UHFFFAOYSA-N |
| XLogP | 20.54 |
| TPSA | 584.50 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2391.80 |
| LogP ≤ 5 | 20.54 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 34 |