C197H138BrClF30N36O11 — CID 159209219
3-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-5-carbonitrile;2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (PubChem CID 159209219) has the molecular formula C197H138BrClF30N36O11 and a molecular weight of 3870.81 g/mol. Its IUPAC name is 3-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-5-carbonitrile;2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.
| Compound Name | 3-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-5-carbonitrile;2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide |
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| PubChem CID | 159209219 |
| Molecular Formula | C197H138BrClF30N36O11 |
| Molecular Weight | 3870.81 g/mol |
| Exact Mass | 3866.97 |
| IUPAC Name | 3-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-5-carbonitrile;2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide |
| SMILES | CNc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.COc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1occc1-c1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.FC(F)(F)c1ccc(Cn2nc(-c3ccoc3)c3ccccc32)cc1.N#Cc1ccc2c(c1)c(N)nn2Cc1ccc(C(F)(F)F)nc1.N#Cc1ccc2c(c1)c(NC(=O)c1ccoc1)nn2Cc1ccc(C(F)(F)F)nc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1Br.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1cccnn1.O=C(Nc1nn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccoc1.[C-]#[N+]c1ccccc1C(=O)Cc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12 |
| InChI | InChI=1S/C24H16F3N3O.C23H18F3N3O2.C22H15BrF3N3O.C20H12F3N5O2.C20H14F3N3O2.C20H15F3N2O.C19H13F3N6O.C19H13F3N2O.C15H12ClF3N4.C15H10F3N5/c1-28-20-8-4-2-7-19(20)23(31)14-21-18-6-3-5-9-22(18)30(29-21)15-16-10-12-17(13-11-16)24(25,26)27;1-31-20-9-5-3-7-18(20)22(30)27-21-17-6-2-4-8-19(17)29(28-21)14-15-10-12-16(13-11-15)23(24,25)26;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;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;21-20(22,23)15-5-3-4-13(10-15)11-26-17-7-2-1-6-16(17)18(25-26)24-19(27)14-8-9-28-12-14;1-13-16(10-11-26-13)19-17-4-2-3-5-18(17)25(24-19)12-14-6-8-15(9-7-14)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;20-19(21,22)15-7-5-13(6-8-15)11-24-17-4-2-1-3-16(17)18(23-24)14-9-10-25-12-14;1-20-14-13-11(16)6-21-7-12(13)23(22-14)8-9-2-4-10(5-3-9)15(17,18)19;16-15(17,18)13-4-2-10(7-21-13)8-23-12-3-1-9(6-19)5-11(12)14(20)22-23/h2-13H,14-15H2;2-13H,14H2,1H3,(H,27,28,30);1-12H,13H2,(H,27,28,30);1-7,9,11H,10H2,(H,26,27,29);1-10,12H,11H2,(H,24,25,27);2-11H,12H2,1H3;1-10H,11H2,(H,25,27,29);1-10,12H,11H2;2-7H,8H2,1H3,(H,20,22);1-5,7H,8H2,(H2,20,22) |
| InChIKey | KQGWCPGTBQUNKS-UHFFFAOYSA-N |
| XLogP | 48.45 |
| TPSA | 569.89 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 276 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3870.81 |
| LogP ≤ 5 | 48.45 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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