C143H107F22N35O11S — CID 159625121
1-ethyl-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;4-fluoro-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(trifluoromethyl)benzamide;1-methyl-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(4-methylsulfonylphenyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-morpholin-4-yl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-piperidin-1-yl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide (PubChem CID 159625121) has the molecular formula C143H107F22N35O11S and a molecular weight of 2941.69 g/mol. Its IUPAC name is 1-ethyl-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;4-fluoro-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(trifluoromethyl)benzamide;1-methyl-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(4-methylsulfonylphenyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-morpholin-4-yl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-piperidin-1-yl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide.
| Compound Name | 1-ethyl-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;4-fluoro-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(trifluoromethyl)benzamide;1-methyl-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(4-methylsulfonylphenyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-morpholin-4-yl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-piperidin-1-yl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide |
|---|---|
| PubChem CID | 159625121 |
| Molecular Formula | C143H107F22N35O11S |
| Molecular Weight | 2941.69 g/mol |
| Exact Mass | 2939.83 |
| IUPAC Name | 1-ethyl-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;4-fluoro-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(trifluoromethyl)benzamide;1-methyl-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(4-methylsulfonylphenyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-morpholin-4-yl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-piperidin-1-yl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide |
| SMILES | CCn1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc1=O.CS(=O)(=O)c1ccc(-c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)cn3)c2)cc1.Cn1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc1=O.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccc(F)c(C(F)(F)F)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cccc(N2CCCCC2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccnc(N2CCOCC2)c1 |
| InChI | InChI=1S/C28H20F3N5O3S.C26H23F3N6O.C24H20F3N7O2.C22H12F7N5O.C22H17F3N6O2.C21H15F3N6O2/c1-40(38,39)23-10-7-18(8-11-23)19-4-2-5-20(14-19)27(37)34-26-12-9-22(17-33-26)36-25(28(29,30)31)15-24(35-36)21-6-3-13-32-16-21;27-26(28,29)23-15-22(19-7-5-11-30-16-19)33-35(23)21-9-10-24(31-17-21)32-25(36)18-6-4-8-20(14-18)34-12-2-1-3-13-34;25-24(26,27)20-13-19(17-2-1-6-28-14-17)32-34(20)18-3-4-21(30-15-18)31-23(35)16-5-7-29-22(12-16)33-8-10-36-11-9-33;23-16-5-3-12(8-15(16)21(24,25)26)20(35)32-19-6-4-14(11-31-19)34-18(22(27,28)29)9-17(33-34)13-2-1-7-30-10-13;1-2-30-9-7-14(10-20(30)32)21(33)28-19-6-5-16(13-27-19)31-18(22(23,24)25)11-17(29-31)15-4-3-8-26-12-15;1-29-8-6-13(9-19(29)31)20(32)27-18-5-4-15(12-26-18)30-17(21(22,23)24)10-16(28-30)14-3-2-7-25-11-14/h2-17H,1H3,(H,33,34,37);4-11,14-17H,1-3,12-13H2,(H,31,32,36);1-7,12-15H,8-11H2,(H,30,31,35);1-11H,(H,31,32,35);3-13H,2H2,1H3,(H,27,28,33);2-12H,1H3,(H,26,27,32) |
| InChIKey | MOJRQHDKMAYLNS-UHFFFAOYSA-N |
| XLogP | 27.93 |
| TPSA | 542.94 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 212 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2941.69 |
| LogP ≤ 5 | 27.93 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 40 |