C133H112Br3ClF8N22O10S2 — CID 158867904
N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-difluorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 158867904) has the molecular formula C133H112Br3ClF8N22O10S2 and a molecular weight of 2669.79 g/mol. Its IUPAC name is N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-difluorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide.
| Compound Name | N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-difluorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide |
|---|---|
| PubChem CID | 158867904 |
| Molecular Formula | C133H112Br3ClF8N22O10S2 |
| Molecular Weight | 2669.79 g/mol |
| Exact Mass | 2664.55 |
| IUPAC Name | N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-difluorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide |
| SMILES | COc1ccc(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c(C(F)(F)F)c1.COc1ccc(F)cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.Cc1ccc(C(=O)Nc2ccc(-c3c(C)csc3Br)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(F)ccc3F)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(O)ccc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(F)nc3F)c(N)n2)cc1.Cc1ccc(C(=O)Nc2nc(N)c(-c3c(C)csc3Br)cc2Br)cc1 |
| InChI | InChI=1S/C21H18F3N3O2.C20H18FN3O2.C19H16ClN3O2.C19H15F2N3O.C18H15Br2N3OS.C18H16BrN3OS.C18H14F2N4O/c1-12-3-5-13(6-4-12)20(28)27-18-10-9-16(19(25)26-18)15-8-7-14(29-2)11-17(15)21(22,23)24;1-12-3-5-13(6-4-12)20(25)24-18-10-8-15(19(22)23-18)16-11-14(21)7-9-17(16)26-2;1-11-2-4-12(5-3-11)19(25)23-17-9-7-14(18(21)22-17)15-10-13(24)6-8-16(15)20;1-11-2-4-12(5-3-11)19(25)24-17-9-7-14(18(22)23-17)15-10-13(20)6-8-16(15)21;1-9-3-5-11(6-4-9)18(24)23-17-13(19)7-12(16(21)22-17)14-10(2)8-25-15(14)20;1-10-3-5-12(6-4-10)18(23)22-14-8-7-13(17(20)21-14)15-11(2)9-24-16(15)19;1-10-2-4-11(5-3-10)18(25)24-15-9-7-13(17(21)23-15)12-6-8-14(19)22-16(12)20/h3-11H,1-2H3,(H3,25,26,27,28);3-11H,1-2H3,(H3,22,23,24,25);2-10,24H,1H3,(H3,21,22,23,25);2-10H,1H3,(H3,22,23,24,25);3-8H,1-2H3,(H3,21,22,23,24);3-9H,1-2H3,(H3,20,21,22,23);2-9H,1H3,(H3,21,23,24,25) |
| InChIKey | JBMBRRKQJWBMNM-UHFFFAOYSA-N |
| XLogP | 31.75 |
| TPSA | 527.65 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 179 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2669.79 |
| LogP ≤ 5 | 31.75 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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