C169H135BrF22N38O17S — CID 162110546
3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide (PubChem CID 162110546) has the molecular formula C169H135BrF22N38O17S and a molecular weight of 3500.11 g/mol. Its IUPAC name is 3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide.
| Compound Name | 3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide |
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| PubChem CID | 162110546 |
| Molecular Formula | C169H135BrF22N38O17S |
| Molecular Weight | 3500.11 g/mol |
| Exact Mass | 3496.94 |
| IUPAC Name | 3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide |
| SMILES | CCOCCn1cc(C(=O)Nc2ccc(-n3nc(C4CCOCC4)cc3C(F)(F)F)cn2)ccc1=O.CCOc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cn1.CN(C(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1)c1ccccn1.CN(Cc1ccccc1)C(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.COc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc1F.CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nc2)c1.O=C(Nc1ccc(-n2nc(C3CCOCC3)cc2C(F)(F)F)cn1)c1cccc(Br)c1 |
| InChI | InChI=1S/C30H23F3N6O2.C28H20F3N7O2.C24H26F3N5O4.C22H15F4N5O2.C22H17F3N6O2.C22H16F3N5O3S.C21H18BrF3N4O2/c1-38(19-20-7-3-2-4-8-20)29(41)22-10-5-9-21(15-22)28(40)36-27-13-12-24(18-35-27)39-26(30(31,32)33)16-25(37-39)23-11-6-14-34-17-23;1-37(25-9-2-3-13-33-25)27(40)19-7-4-6-18(14-19)26(39)35-24-11-10-21(17-34-24)38-23(28(29,30)31)15-22(36-38)20-8-5-12-32-16-20;1-2-35-12-9-31-15-17(3-6-22(31)33)23(34)29-21-5-4-18(14-28-21)32-20(24(25,26)27)13-19(30-32)16-7-10-36-11-8-16;1-33-18-6-4-13(9-16(18)23)21(32)29-20-7-5-15(12-28-20)31-19(22(24,25)26)10-17(30-31)14-3-2-8-27-11-14;1-2-33-20-8-5-15(12-28-20)21(32)29-19-7-6-16(13-27-19)31-18(22(23,24)25)10-17(30-31)14-4-3-9-26-11-14;1-34(32,33)17-6-2-4-14(10-17)21(31)28-16-7-8-20(27-13-16)30-19(22(23,24)25)11-18(29-30)15-5-3-9-26-12-15;22-15-3-1-2-14(10-15)20(30)27-19-5-4-16(12-26-19)29-18(21(23,24)25)11-17(28-29)13-6-8-31-9-7-13/h2-18H,19H2,1H3,(H,35,36,40);2-17H,1H3,(H,34,35,39);3-6,13-16H,2,7-12H2,1H3,(H,28,29,34);2-12H,1H3,(H,28,29,32);3-13H,2H2,1H3,(H,27,29,32);2-13H,1H3,(H,28,31);1-5,10-13H,6-9H2,(H,26,27,30) |
| InChIKey | ZGCBHZGBMDDCRI-UHFFFAOYSA-N |
| XLogP | 33.12 |
| TPSA | 651.81 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 248 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3500.11 |
| LogP ≤ 5 | 33.12 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 46 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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