C101H64F15N29O8S — CID 159960938
N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (PubChem CID 159960938) has the molecular formula C101H64F15N29O8S and a molecular weight of 2128.85 g/mol. Its IUPAC name is N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.
| Compound Name | N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide |
|---|---|
| PubChem CID | 159960938 |
| Molecular Formula | C101H64F15N29O8S |
| Molecular Weight | 2128.85 g/mol |
| Exact Mass | 2127.50 |
| IUPAC Name | N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide |
| SMILES | Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.N#Cc1ccc2c(c1)c(NC(=O)c1cccnn1)nn2Cc1ccc(C(F)(F)F)nc1.N#Cc1ccc2c(c1)c(NC(=O)c1ccoc1)nn2Cc1ccc(C(F)(F)F)nc1 |
| InChI | InChI=1S/C21H14F3N5O2.C20H12F3N7O.C20H13F3N6O2.C20H13F3N6OS.C20H12F3N5O2/c1-12-15(6-7-31-12)20(30)27-19-16-8-13(9-25)2-4-17(16)29(28-19)11-14-3-5-18(26-10-14)21(22,23)24;21-20(22,23)17-6-4-13(10-25-17)11-30-16-5-3-12(9-24)8-14(16)18(29-30)27-19(31)15-2-1-7-26-28-15;1-11-15(10-31-28-11)19(30)26-18-14-6-12(7-24)2-4-16(14)29(27-18)9-13-3-5-17(25-8-13)20(21,22)23;1-11-17(31-10-26-11)19(30)27-18-14-6-12(7-24)2-4-15(14)29(28-18)9-13-3-5-16(25-8-13)20(21,22)23;21-20(22,23)17-4-2-13(9-25-17)10-28-16-3-1-12(8-24)7-15(16)18(27-28)26-19(29)14-5-6-30-11-14/h2-8,10H,11H2,1H3,(H,27,28,30);1-8,10H,11H2,(H,27,29,31);2-6,8,10H,9H2,1H3,(H,26,27,30);2-6,8,10H,9H2,1H3,(H,27,28,30);1-7,9,11H,10H2,(H,26,27,29) |
| InChIKey | ODHWKBTWPKBHSE-UHFFFAOYSA-N |
| XLogP | 20.46 |
| TPSA | 508.98 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 154 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2128.85 |
| LogP ≤ 5 | 20.46 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 33 |