C142H100Cl2F24N22O8S — CID 159310393
1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;2-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 159310393) has the molecular formula C142H100Cl2F24N22O8S and a molecular weight of 2801.43 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;2-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide.
| Compound Name | 1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;2-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide |
|---|---|
| PubChem CID | 159310393 |
| Molecular Formula | C142H100Cl2F24N22O8S |
| Molecular Weight | 2801.43 g/mol |
| Exact Mass | 2798.68 |
| IUPAC Name | 1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;2-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide |
| SMILES | Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12.Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccc(F)cc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(F)c1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1F.O=C(Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccoc1 |
| InChI | InChI=1S/C22H15F6N3O2.3C22H15F4N3O.C21H14F6N4OS.C19H14ClN3O2.C14H12ClN3/c1-12-15(9-10-33-12)20(32)29-19-16-3-2-4-17(22(26,27)28)18(16)31(30-19)11-13-5-7-14(8-6-13)21(23,24)25;23-18-7-3-1-5-16(18)21(30)27-20-17-6-2-4-8-19(17)29(28-20)13-14-9-11-15(12-10-14)22(24,25)26;23-17-5-3-4-15(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;1-11-17(33-10-28-11)19(32)29-18-14-3-2-4-15(21(25,26)27)16(14)31(30-18)9-12-5-7-13(8-6-12)20(22,23)24;20-15-7-5-13(6-8-15)11-23-17-4-2-1-3-16(17)18(22-23)21-19(24)14-9-10-25-12-14;15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(16)17-18/h2-10H,11H2,1H3,(H,29,30,32);3*1-12H,13H2,(H,27,28,30);2-8,10H,9H2,1H3,(H,29,30,32);1-10,12H,11H2,(H,21,22,24);1-8H,9H2,(H2,16,17) |
| InChIKey | LCLPPPJGARSYJH-UHFFFAOYSA-N |
| XLogP | 36.80 |
| TPSA | 364.53 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 199 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2801.43 |
| LogP ≤ 5 | 36.80 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 25 |