C105H87ClF20N26O10 — CID 159513649
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-hydroxyethenyl)benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone (PubChem CID 159513649) has the molecular formula C105H87ClF20N26O10 and a molecular weight of 2288.44 g/mol. Its IUPAC name is N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-hydroxyethenyl)benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone.
| Compound Name | N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-hydroxyethenyl)benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone |
|---|---|
| PubChem CID | 159513649 |
| Molecular Formula | C105H87ClF20N26O10 |
| Molecular Weight | 2288.44 g/mol |
| Exact Mass | 2286.65 |
| IUPAC Name | N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-hydroxyethenyl)benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone |
| SMILES | C=C(O)c1cccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.C=CC(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(N)n1.COc1cc(-c2cc(C(F)(F)F)nn2C)cnc1C(=O)Cc1c(F)cccc1F.COc1cc(-c2cc(C(F)(F)F)nn2C)cnc1C(=O)Cc1ccccc1Cl.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2O)nc1N |
| InChI | InChI=1S/C19H15ClF3N3O2.C19H14F5N3O2.C19H16F3N5O2.C18H16F3N5O.C17H14F3N5O2.C13H12F3N5O/c1-26-14(9-17(25-26)19(21,22)23)12-8-16(28-2)18(24-10-12)15(27)7-11-5-3-4-6-13(11)20;1-27-14(8-17(26-27)19(22,23)24)10-6-16(29-2)18(25-9-10)15(28)7-11-12(20)4-3-5-13(11)21;1-10(28)11-4-3-5-12(8-11)18(29)25-16-7-6-13(17(23)24-16)14-9-15(19(20,21)22)26-27(14)2;1-10-3-5-11(6-4-10)17(27)24-15-8-7-12(16(22)23-15)13-9-14(18(19,20)21)25-26(13)2;1-25-11(8-13(24-25)17(18,19)20)9-6-7-14(22-15(9)21)23-16(27)10-4-2-3-5-12(10)26;1-3-11(22)18-10-5-4-7(12(17)19-10)8-6-9(13(14,15)16)20-21(8)2/h3-6,8-10H,7H2,1-2H3;3-6,8-9H,7H2,1-2H3;3-9,28H,1H2,2H3,(H3,23,24,25,29);3-9H,1-2H3,(H3,22,23,24,27);2-8,26H,1H3,(H3,21,22,23,27);3-6H,1H2,2H3,(H3,17,18,19,22) |
| InChIKey | MAXIEJGLXIVPTC-UHFFFAOYSA-N |
| XLogP | 21.56 |
| TPSA | 497.80 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 162 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2288.44 |
| LogP ≤ 5 | 21.56 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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