C110H80F18N28O8S — CID 158859814
2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (PubChem CID 158859814) has the molecular formula C110H80F18N28O8S and a molecular weight of 2296.07 g/mol. Its IUPAC name is 2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.
| Compound Name | 2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide |
|---|---|
| PubChem CID | 158859814 |
| Molecular Formula | C110H80F18N28O8S |
| Molecular Weight | 2296.07 g/mol |
| Exact Mass | 2294.61 |
| IUPAC Name | 2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide |
| SMILES | Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1cccnn1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1ccoc1 |
| InChI | InChI=1S/C20H15F3N4O2.C19H13F3N6O.C19H14F3N5O2.C19H14F3N5OS.C19H13F3N4O2.C14H11F3N4/c1-12-14(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;20-19(21,22)16-8-7-12(10-23-16)11-28-15-6-2-1-4-13(15)17(27-28)25-18(29)14-5-3-9-24-26-14;1-11-14(10-29-26-11)18(28)24-17-13-4-2-3-5-15(13)27(25-17)9-12-6-7-16(23-8-12)19(20,21)22;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;20-19(21,22)16-6-5-12(9-23-16)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)13-7-8-28-11-13;15-14(16,17)12-6-5-9(7-19-12)8-21-11-4-2-1-3-10(11)13(18)20-21/h2-10H,11H2,1H3,(H,25,26,28);1-10H,11H2,(H,25,27,29);2-8,10H,9H2,1H3,(H,24,25,28);2-8,10H,9H2,1H3,(H,25,26,28);1-9,11H,10H2,(H,24,25,27);1-7H,8H2,(H2,18,20) |
| InChIKey | JANBVLQGDLYDGJ-UHFFFAOYSA-N |
| XLogP | 24.18 |
| TPSA | 446.76 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2296.07 |
| LogP ≤ 5 | 24.18 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 32 |