C109H80Cl2F21N23O6 — CID 161182065
2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-6-fluoro-2-pyridinyl]benzamide;2-chloro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]benzamide;N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 161182065) has the molecular formula C109H80Cl2F21N23O6 and a molecular weight of 2277.86 g/mol. Its IUPAC name is 2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-6-fluoro-2-pyridinyl]benzamide;2-chloro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]benzamide;N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide.
| Compound Name | 2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-6-fluoro-2-pyridinyl]benzamide;2-chloro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]benzamide;N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide |
|---|---|
| PubChem CID | 161182065 |
| Molecular Formula | C109H80Cl2F21N23O6 |
| Molecular Weight | 2277.86 g/mol |
| Exact Mass | 2275.57 |
| IUPAC Name | 2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-6-fluoro-2-pyridinyl]benzamide;2-chloro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]benzamide;N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide |
| SMILES | CCc1cc(-c2ccc(NC(=O)c3ccccc3Cl)nc2F)n(CC)n1.Cc1ccc(C(=O)Nc2ncc(-c3cc(C(F)(F)F)nn3C)cc2F)cc1.Cn1c(-c2ccc(NC(=O)c3ccccc3)nc2F)cc2ccccc21.Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)c(F)c1.Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2Cl)c(F)c1.Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2F)c(F)c1 |
| InChI | InChI=1S/C21H16FN3O.C19H18ClFN4O.C18H14F4N4O.C17H11ClF4N4O.C17H10F6N4O.C17H11F5N4O/c1-25-17-10-6-5-9-15(17)13-18(25)16-11-12-19(23-20(16)22)24-21(26)14-7-3-2-4-8-14;1-3-12-11-16(25(4-2)24-12)14-9-10-17(22-18(14)21)23-19(26)13-7-5-6-8-15(13)20;1-10-3-5-11(6-4-10)17(27)24-16-13(19)7-12(9-23-16)14-8-15(18(20,21)22)25-26(14)2;1-26-13(7-14(25-26)17(20,21)22)9-6-12(19)15(23-8-9)24-16(27)10-4-2-3-5-11(10)18;1-27-12(6-13(26-27)17(21,22)23)8-5-11(20)15(24-7-8)25-16(28)14-9(18)3-2-4-10(14)19;1-26-13(7-14(25-26)17(20,21)22)9-6-12(19)15(23-8-9)24-16(27)10-4-2-3-5-11(10)18/h2-13H,1H3,(H,23,24,26);5-11H,3-4H2,1-2H3,(H,22,23,26);3-9H,1-2H3,(H,23,24,27);2-8H,1H3,(H,23,24,27);2-7H,1H3,(H,24,25,28);2-8H,1H3,(H,23,24,27) |
| InChIKey | USPAPASZBFVHSY-UHFFFAOYSA-N |
| XLogP | 26.15 |
| TPSA | 345.97 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 161 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2277.86 |
| LogP ≤ 5 | 26.15 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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