C137H98Cl2F21N33O9S — CID 161194786
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;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;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (PubChem CID 161194786) has the molecular formula C137H98Cl2F21N33O9S and a molecular weight of 2852.44 g/mol. Its IUPAC name is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;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;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.
| Compound Name | N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;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;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide |
|---|---|
| PubChem CID | 161194786 |
| Molecular Formula | C137H98Cl2F21N33O9S |
| Molecular Weight | 2852.44 g/mol |
| Exact Mass | 2849.70 |
| IUPAC Name | N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;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;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide |
| SMILES | CC(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.CCC(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.Cc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.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.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccnn1 |
| InChI | InChI=1S/C23H18F3N3O.C21H14F3N5O2.C20H13F3N6O2.C20H13F3N6OS.C20H14F3N5O.C17H14ClF3N4O.C16H12ClF3N4O/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;1-12-15(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;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)14-9-7-13(8-10-14)12-28-17-6-2-1-4-15(17)18(27-28)25-19(29)16-5-3-11-24-26-16;1-2-14(26)23-16-15-12(18)7-22-8-13(15)25(24-16)9-10-3-5-11(6-4-10)17(19,20)21;1-9(25)22-15-14-12(17)6-21-7-13(14)24(23-15)8-10-2-4-11(5-3-10)16(18,19)20/h2-13H,14H2,1H3,(H,27,28,30);2-8,10H,11H2,1H3,(H,27,28,30);2-6,8,10H,9H2,1H3,(H,26,27,30);2-6,8,10H,9H2,1H3,(H,27,28,30);1-11H,12H2,(H,25,27,29);3-8H,2,9H2,1H3,(H,23,24,26);2-7H,8H2,1H3,(H,22,23,25) |
| InChIKey | UUEVBWAHEVJKMA-UHFFFAOYSA-N |
| XLogP | 31.25 |
| TPSA | 542.10 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 203 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2852.44 |
| LogP ≤ 5 | 31.25 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 36 |