C144H105ClF23N27O8 — CID 158123142
N-[6-amino-5-[1-methyl-5-(trifluoromethyl)indol-2-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-methyl-5-(trifluoromethyl)indol-2-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-oxo-2-phenylacetamide;2,6-difluoro-N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]benzamide;2-fluoro-N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]benzamide;N-[6-fluoro-5-[1-methyl-5-(trifluoromethyl)indol-2-yl]-2-pyridinyl]benzamide (PubChem CID 158123142) has the molecular formula C144H105ClF23N27O8 and a molecular weight of 2814.01 g/mol. Its IUPAC name is N-[6-amino-5-[1-methyl-5-(trifluoromethyl)indol-2-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-methyl-5-(trifluoromethyl)indol-2-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-oxo-2-phenylacetamide;2,6-difluoro-N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]benzamide;2-fluoro-N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]benzamide;N-[6-fluoro-5-[1-methyl-5-(trifluoromethyl)indol-2-yl]-2-pyridinyl]benzamide.
| Compound Name | N-[6-amino-5-[1-methyl-5-(trifluoromethyl)indol-2-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-methyl-5-(trifluoromethyl)indol-2-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-oxo-2-phenylacetamide;2,6-difluoro-N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]benzamide;2-fluoro-N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]benzamide;N-[6-fluoro-5-[1-methyl-5-(trifluoromethyl)indol-2-yl]-2-pyridinyl]benzamide |
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| PubChem CID | 158123142 |
| Molecular Formula | C144H105ClF23N27O8 |
| Molecular Weight | 2814.01 g/mol |
| Exact Mass | 2811.80 |
| IUPAC Name | N-[6-amino-5-[1-methyl-5-(trifluoromethyl)indol-2-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-methyl-5-(trifluoromethyl)indol-2-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-oxo-2-phenylacetamide;2,6-difluoro-N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]benzamide;2-fluoro-N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]benzamide;N-[6-fluoro-5-[1-methyl-5-(trifluoromethyl)indol-2-yl]-2-pyridinyl]benzamide |
| SMILES | Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c(F)c1.Cn1c(-c2ccc(NC(=O)c3c(F)cccc3F)nc2F)cc2ccccc21.Cn1c(-c2ccc(NC(=O)c3ccccc3)nc2F)cc2cc(C(F)(F)F)ccc21.Cn1c(-c2ccc(NC(=O)c3ccccc3Cl)nc2N)cc2cc(C(F)(F)F)ccc21.Cn1c(-c2ccc(NC(=O)c3ccccc3F)nc2F)cc2ccccc21.Cn1c(-c2ccc(NC(=O)c3ccccc3F)nc2N)cc2cc(C(F)(F)F)ccc21.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)C(=O)c2ccccc2)nc1N |
| InChI | InChI=1S/C22H16ClF3N4O.C22H16F4N4O.C22H15F4N3O.C21H14F3N3O.C21H15F2N3O.C18H15F4N5O.C18H14F3N5O2/c2*1-30-17-8-6-13(22(24,25)26)10-12(17)11-18(30)15-7-9-19(28-20(15)27)29-21(31)14-4-2-3-5-16(14)23;1-29-17-9-7-15(22(24,25)26)11-14(17)12-18(29)16-8-10-19(27-20(16)23)28-21(30)13-5-3-2-4-6-13;1-27-16-8-3-2-5-12(16)11-17(27)13-9-10-18(25-20(13)24)26-21(28)19-14(22)6-4-7-15(19)23;1-26-17-9-5-2-6-13(17)12-18(26)15-10-11-19(24-20(15)23)25-21(27)14-7-3-4-8-16(14)22;1-9-3-4-10(12(19)7-9)17(28)25-15-6-5-11(16(23)24-15)13-8-14(18(20,21)22)26-27(13)2;1-26-12(9-13(25-26)18(19,20)21)11-7-8-14(23-16(11)22)24-17(28)15(27)10-5-3-2-4-6-10/h2*2-11H,1H3,(H3,27,28,29,31);2-12H,1H3,(H,27,28,30);2-11H,1H3,(H,25,26,28);2-12H,1H3,(H,24,25,27);3-8H,1-2H3,(H3,23,24,25,28);2-9H,1H3,(H3,22,23,24,28) |
| InChIKey | FRVMRESQRJZKHN-UHFFFAOYSA-N |
| XLogP | 33.00 |
| TPSA | 475.37 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 203 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2814.01 |
| LogP ≤ 5 | 33.00 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
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