C108H77Cl2F23N24O6 — CID 158948961
N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-chlorobenzamide;2-chloro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 158948961) has the molecular formula C108H77Cl2F23N24O6 and a molecular weight of 2314.83 g/mol. Its IUPAC name is N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-chlorobenzamide;2-chloro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide.
| Compound Name | N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-chlorobenzamide;2-chloro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide |
|---|---|
| PubChem CID | 158948961 |
| Molecular Formula | C108H77Cl2F23N24O6 |
| Molecular Weight | 2314.83 g/mol |
| Exact Mass | 2312.55 |
| IUPAC Name | N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-chlorobenzamide;2-chloro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide |
| SMILES | Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)n2)cc1.Cc1cccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)n2)c1.Cn1c(-c2ccc(NC(=O)c3ccccc3Cl)nc2N)cc2ccccc21.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1F.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1F.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2F)nc1F |
| InChI | InChI=1S/C21H17ClN4O.2C18H14F4N4O.C17H11ClF4N4O.C17H10F6N4O.C17H11F5N4O/c1-26-17-9-5-2-6-13(17)12-18(26)15-10-11-19(24-20(15)23)25-21(27)14-7-3-4-8-16(14)22;1-10-3-5-11(6-4-10)17(27)24-15-8-7-12(16(19)23-15)13-9-14(18(20,21)22)25-26(13)2;1-10-4-3-5-11(8-10)17(27)24-15-7-6-12(16(19)23-15)13-9-14(18(20,21)22)25-26(13)2;1-26-12(8-13(25-26)17(20,21)22)10-6-7-14(23-15(10)19)24-16(27)9-4-2-3-5-11(9)18;1-27-11(7-12(26-27)17(21,22)23)8-5-6-13(24-15(8)20)25-16(28)14-9(18)3-2-4-10(14)19;1-26-12(8-13(25-26)17(20,21)22)10-6-7-14(23-15(10)19)24-16(27)9-4-2-3-5-11(9)18/h2-12H,1H3,(H3,23,24,25,27);2*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 | JLEIXVXLYPIHAD-UHFFFAOYSA-N |
| XLogP | 25.88 |
| TPSA | 371.99 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 163 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2314.83 |
| LogP ≤ 5 | 25.88 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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