C124H87F19N22O6S2 — CID 159250151
1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (PubChem CID 159250151) has the molecular formula C124H87F19N22O6S2 and a molecular weight of 2406.30 g/mol. Its IUPAC name is 1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.
| Compound Name | 1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide |
|---|---|
| PubChem CID | 159250151 |
| Molecular Formula | C124H87F19N22O6S2 |
| Molecular Weight | 2406.30 g/mol |
| Exact Mass | 2404.63 |
| IUPAC Name | 1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide |
| SMILES | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)nc1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccccn1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1cccnc1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1cccs1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccncc1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccsc1 |
| InChI | InChI=1S/C21H14F4N4O.3C21H15F3N4O.2C20H14F3N3OS/c22-19-8-7-15(11-26-19)29-18-6-2-5-16(17(18)12-28-29)20(30)27-10-13-3-1-4-14(9-13)21(23,24)25;22-21(23,24)15-5-1-4-14(10-15)11-26-20(29)17-7-2-8-19-18(17)13-27-28(19)16-6-3-9-25-12-16;22-21(23,24)15-4-1-3-14(11-15)12-26-20(29)17-5-2-6-19-18(17)13-27-28(19)16-7-9-25-10-8-16;22-21(23,24)15-6-3-5-14(11-15)12-26-20(29)16-7-4-8-18-17(16)13-27-28(18)19-9-1-2-10-25-19;21-20(22,23)14-5-1-4-13(10-14)11-24-19(27)15-6-2-7-17-16(15)12-25-26(17)18-8-3-9-28-18;21-20(22,23)14-4-1-3-13(9-14)10-24-19(27)16-5-2-6-18-17(16)11-25-26(18)15-7-8-28-12-15/h1-9,11-12H,10H2,(H,27,30);1-10,12-13H,11H2,(H,26,29);2*1-11,13H,12H2,(H,26,29);1-10,12H,11H2,(H,24,27);1-9,11-12H,10H2,(H,24,27) |
| InChIKey | KVEOYWPQXBFRFM-UHFFFAOYSA-N |
| XLogP | 27.69 |
| TPSA | 333.08 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 173 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2406.30 |
| LogP ≤ 5 | 27.69 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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