C106H78F15N19O6S — CID 159236641
4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrazine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-3-carboxamide (PubChem CID 159236641) has the molecular formula C106H78F15N19O6S and a molecular weight of 2030.95 g/mol. Its IUPAC name is 4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrazine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-3-carboxamide.
| Compound Name | 4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrazine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 159236641 |
| Molecular Formula | C106H78F15N19O6S |
| Molecular Weight | 2030.95 g/mol |
| Exact Mass | 2029.59 |
| IUPAC Name | 4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrazine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-3-carboxamide |
| SMILES | COc1cscc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccn1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccnc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnccn1 |
| InChI | InChI=1S/C23H18F3N3O.2C21H15F3N4O.C21H16F3N3O2S.C20H14F3N5O/c1-15-6-2-3-7-18(15)22(30)27-21-19-8-4-5-9-20(19)29(28-21)14-16-10-12-17(13-11-16)23(24,25)26;22-21(23,24)15-10-8-14(9-11-15)13-28-18-7-2-1-5-16(18)19(27-28)26-20(29)17-6-3-4-12-25-17;22-21(23,24)16-9-7-14(8-10-16)13-28-18-6-2-1-5-17(18)19(27-28)26-20(29)15-4-3-11-25-12-15;1-29-18-12-30-11-16(18)20(28)25-19-15-4-2-3-5-17(15)27(26-19)10-13-6-8-14(9-7-13)21(22,23)24;21-20(22,23)14-7-5-13(6-8-14)12-28-17-4-2-1-3-15(17)18(27-28)26-19(29)16-11-24-9-10-25-16/h2-13H,14H2,1H3,(H,27,28,30);2*1-12H,13H2,(H,26,27,29);2-9,11-12H,10H2,1H3,(H,25,26,28);1-11H,12H2,(H,26,27,29) |
| InChIKey | KTOFJRSVLYGROS-UHFFFAOYSA-N |
| XLogP | 24.74 |
| TPSA | 295.39 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 147 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2030.95 |
| LogP ≤ 5 | 24.74 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 21 |