C125H93F18N21O7S — CID 160990217
3-(5-methylfuran-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole (PubChem CID 160990217) has the molecular formula C125H93F18N21O7S and a molecular weight of 2375.29 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole.
| Compound Name | 3-(5-methylfuran-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole |
|---|---|
| PubChem CID | 160990217 |
| Molecular Formula | C125H93F18N21O7S |
| Molecular Weight | 2375.29 g/mol |
| Exact Mass | 2373.70 |
| IUPAC Name | 3-(5-methylfuran-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole |
| SMILES | Cc1[nH]ncc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1ccc(-c2nn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)o1.Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.FC(F)(F)c1ccc(Cn2nc(-c3cccc4ccccc34)c3ccccc32)cc1 |
| InChI | InChI=1S/C25H17F3N2.C21H16F3N3O2.C20H16F3N5O.C20H15F3N4O2.C20H15F3N2O.C19H14F3N5OS/c26-25(27,28)19-14-12-17(13-15-19)16-30-23-11-4-3-9-22(23)24(29-30)21-10-5-7-18-6-1-2-8-20(18)21;1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24;1-12-16(10-24-26-12)19(29)25-18-15-4-2-3-5-17(15)28(27-18)11-13-6-8-14(9-7-13)20(21,22)23;1-12-14(8-9-29-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)11-13-6-7-17(24-10-13)20(21,22)23;1-13-6-11-18(26-13)19-16-4-2-3-5-17(16)25(24-19)12-14-7-9-15(10-8-14)20(21,22)23;1-11-16(29-10-24-11)18(28)25-17-13-4-2-3-5-14(13)27(26-17)9-12-6-7-15(23-8-12)19(20,21)22/h1-15H,16H2;2-11H,12H2,1H3,(H,25,26,28);2-10H,11H2,1H3,(H,24,26)(H,25,27,29);2-10H,11H2,1H3,(H,25,26,28);2-11H,12H2,1H3;2-8,10H,9H2,1H3,(H,25,26,28) |
| InChIKey | TUNFLRBEHUIAJY-UHFFFAOYSA-N |
| XLogP | 31.41 |
| TPSA | 330.09 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 172 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2375.29 |
| LogP ≤ 5 | 31.41 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 24 |