C122H88ClF20N21O8S4 — CID 159152316
2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 159152316) has the molecular formula C122H88ClF20N21O8S4 and a molecular weight of 2519.87 g/mol. Its IUPAC name is 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide.
| Compound Name | 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide |
|---|---|
| PubChem CID | 159152316 |
| Molecular Formula | C122H88ClF20N21O8S4 |
| Molecular Weight | 2519.87 g/mol |
| Exact Mass | 2517.54 |
| IUPAC Name | 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide |
| SMILES | Cc1ccsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc12.Cc1ncsc1C(=O)Nc1nn(Cc2ccc(F)cc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1csc(Cl)n1 |
| InChI | InChI=1S/C22H15F6N3O2.C21H14F6N4OS.C21H16F3N3OS.C20H16FN3O2.C19H12ClF3N4OS.C19H15FN4OS/c1-12-16(8-9-33-12)20(32)29-19-17-10-15(22(26,27)28)6-7-18(17)31(30-19)11-13-2-4-14(5-3-13)21(23,24)25;1-11-17(33-10-28-11)19(32)29-18-15-8-14(21(25,26)27)6-7-16(15)31(30-18)9-12-2-4-13(5-3-12)20(22,23)24;1-13-10-11-29-18(13)20(28)25-19-16-4-2-3-5-17(16)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24;1-13-16(10-11-26-13)20(25)22-19-17-4-2-3-5-18(17)24(23-19)12-14-6-8-15(21)9-7-14;20-18-24-14(10-29-18)17(28)25-16-13-3-1-2-4-15(13)27(26-16)9-11-5-7-12(8-6-11)19(21,22)23;1-12-17(26-11-21-12)19(25)22-18-15-4-2-3-5-16(15)24(23-18)10-13-6-8-14(20)9-7-13/h2-10H,11H2,1H3,(H,29,30,32);2-8,10H,9H2,1H3,(H,29,30,32);2-11H,12H2,1H3,(H,25,26,28);2-11H,12H2,1H3,(H,22,23,25);1-8,10H,9H2,(H,25,26,28);2-9,11H,10H2,1H3,(H,22,23,25) |
| InChIKey | KJLLUYPPJLXDEM-UHFFFAOYSA-N |
| XLogP | 32.22 |
| TPSA | 346.47 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 176 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2519.87 |
| LogP ≤ 5 | 32.22 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 27 |