C160H109BrF21N43O10 — CID 159425435
5-bromo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-ethyl-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-(3-methoxyphenyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-methyl-3-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]benzamide;3-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyrimidine-5-carboxamide (PubChem CID 159425435) has the molecular formula C160H109BrF21N43O10 and a molecular weight of 3272.78 g/mol. Its IUPAC name is 5-bromo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-ethyl-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-(3-methoxyphenyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-methyl-3-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]benzamide;3-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyrimidine-5-carboxamide.
| Compound Name | 5-bromo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-ethyl-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-(3-methoxyphenyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-methyl-3-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]benzamide;3-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyrimidine-5-carboxamide |
|---|---|
| PubChem CID | 159425435 |
| Molecular Formula | C160H109BrF21N43O10 |
| Molecular Weight | 3272.78 g/mol |
| Exact Mass | 3269.82 |
| IUPAC Name | 5-bromo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-ethyl-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-(3-methoxyphenyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-methyl-3-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]benzamide;3-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyrimidine-5-carboxamide |
| SMILES | CCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O.CNC(=O)c1cccc(-c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)c1.COc1cccc(-c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)c1.Cc1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.N#Cc1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cncc(Br)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cncnc1 |
| InChI | InChI=1S/C28H20F3N7O2.C27H19F3N6O2.C22H17F3N6O2.C22H13F3N6O.C22H16F3N5O.C20H12BrF3N6O.C19H12F3N7O/c1-32-26(39)19-7-2-5-17(13-19)18-6-3-8-20(14-18)27(40)34-24-10-11-25(36-35-24)38-23(28(29,30)31)15-22(37-38)21-9-4-12-33-16-21;1-38-21-9-3-6-18(14-21)17-5-2-7-19(13-17)26(37)32-24-10-11-25(34-33-24)36-23(27(28,29)30)15-22(35-36)20-8-4-12-31-16-20;1-2-30-13-15(5-8-20(30)32)21(33)28-19-7-6-16(12-27-19)31-18(22(23,24)25)10-17(29-31)14-4-3-9-26-11-14;23-22(24,25)19-10-18(16-5-2-8-27-12-16)30-31(19)17-6-7-20(28-13-17)29-21(32)15-4-1-3-14(9-15)11-26;1-14-4-2-5-15(10-14)21(31)28-20-8-7-17(13-27-20)30-19(22(23,24)25)11-18(29-30)16-6-3-9-26-12-16;21-14-6-13(9-26-10-14)19(31)28-18-4-3-15(11-27-18)30-17(20(22,23)24)7-16(29-30)12-2-1-5-25-8-12;20-19(21,22)16-6-15(12-2-1-5-23-7-12)28-29(16)14-3-4-17(26-10-14)27-18(30)13-8-24-11-25-9-13/h2-16H,1H3,(H,32,39)(H,34,35,40);2-16H,1H3,(H,32,33,37);3-13H,2H2,1H3,(H,27,28,33);1-10,12-13H,(H,28,29,32);2-13H,1H3,(H,27,28,31);1-11H,(H,27,28,31);1-11H,(H,26,27,30) |
| InChIKey | LQHDKBGCHXMHPH-UHFFFAOYSA-N |
| XLogP | 32.00 |
| TPSA | 657.47 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 235 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3272.78 |
| LogP ≤ 5 | 32.00 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 45 |