C105H73Cl3F15N17O5S2 — CID 163656919
3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide (PubChem CID 163656919) has the molecular formula C105H73Cl3F15N17O5S2 and a molecular weight of 2108.32 g/mol. Its IUPAC name is 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide.
| Compound Name | 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide |
|---|---|
| PubChem CID | 163656919 |
| Molecular Formula | C105H73Cl3F15N17O5S2 |
| Molecular Weight | 2108.32 g/mol |
| Exact Mass | 2105.42 |
| IUPAC Name | 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide |
| SMILES | Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccc(Cl)cc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(Cl)c1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(Cl)n1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccs1 |
| InChI | InChI=1S/2C22H15ClF3N3O.C21H14ClF3N4O.C20H15F3N4OS.C20H14F3N3OS/c23-17-5-3-4-15(12-17)21(30)27-20-18-6-1-2-7-19(18)29(28-20)13-14-8-10-16(11-9-14)22(24,25)26;23-17-11-7-15(8-12-17)21(30)27-20-18-3-1-2-4-19(18)29(28-20)13-14-5-9-16(10-6-14)22(24,25)26;22-18-7-3-5-16(26-18)20(30)27-19-15-4-1-2-6-17(15)29(28-19)12-13-8-10-14(11-9-13)21(23,24)25;1-12-17(29-11-24-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23;21-20(22,23)14-9-7-13(8-10-14)12-26-16-5-2-1-4-15(16)18(25-26)24-19(27)17-6-3-11-28-17/h2*1-12H,13H2,(H,27,28,30);1-11H,12H2,(H,27,28,30);2-9,11H,10H2,1H3,(H,25,26,28);1-11H,12H2,(H,24,25,27) |
| InChIKey | IRALXYUPFZAZBK-UHFFFAOYSA-N |
| XLogP | 27.96 |
| TPSA | 260.38 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 147 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2108.32 |
| LogP ≤ 5 | 27.96 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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