C135H123BrCl4F4N30O16S — CID 161480504
3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylpropanamide;2-[(2-bromo-3-pyridinyl)oxy]-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(3-methyl-4-pyridinyl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide;2-isoquinolin-1-ylsulfanyl-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyrimidin-2-yloxyacetamide;tetrahydrochloride (PubChem CID 161480504) has the molecular formula C135H123BrCl4F4N30O16S and a molecular weight of 2751.44 g/mol. Its IUPAC name is 3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylpropanamide;2-[(2-bromo-3-pyridinyl)oxy]-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(3-methyl-4-pyridinyl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide;2-isoquinolin-1-ylsulfanyl-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyrimidin-2-yloxyacetamide;tetrahydrochloride.
| Compound Name | 3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylpropanamide;2-[(2-bromo-3-pyridinyl)oxy]-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(3-methyl-4-pyridinyl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide;2-isoquinolin-1-ylsulfanyl-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyrimidin-2-yloxyacetamide;tetrahydrochloride |
|---|---|
| PubChem CID | 161480504 |
| Molecular Formula | C135H123BrCl4F4N30O16S |
| Molecular Weight | 2751.44 g/mol |
| Exact Mass | 2746.73 |
| IUPAC Name | 3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylpropanamide;2-[(2-bromo-3-pyridinyl)oxy]-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(3-methyl-4-pyridinyl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide;2-isoquinolin-1-ylsulfanyl-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyrimidin-2-yloxyacetamide;tetrahydrochloride |
| SMILES | COc1ccc(F)cc1-c1cc(NC(=O)C(CN)c2cccnc2)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)C2CCc3cccnc32)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)CCc2cnccc2C)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)Cc2ccncc2C)ncn1.COc1ccccc1-c1cc(NC(=O)COc2cccnc2Br)ncn1.COc1ccccc1-c1cc(NC(=O)COc2ncccn2)ncn1.COc1ccccc1-c1cc(NC(=O)CSc2nccc3ccccc23)ncn1.Cl.Cl.Cl.Cl |
| InChI | InChI=1S/C22H18N4O2S.C20H17FN4O2.C20H19FN4O2.C19H18FN5O2.C19H17FN4O2.C18H15BrN4O3.C17H15N5O3.4ClH/c1-28-19-9-5-4-8-17(19)18-12-20(25-14-24-18)26-21(27)13-29-22-16-7-3-2-6-15(16)10-11-23-22;1-27-17-7-5-13(21)9-15(17)16-10-18(24-11-23-16)25-20(26)14-6-4-12-3-2-8-22-19(12)14;1-13-7-8-22-11-14(13)3-6-20(26)25-19-10-17(23-12-24-19)16-9-15(21)4-5-18(16)27-2;1-27-17-5-4-13(20)7-14(17)16-8-18(24-11-23-16)25-19(26)15(9-21)12-3-2-6-22-10-12;1-12-10-21-6-5-13(12)7-19(25)24-18-9-16(22-11-23-18)15-8-14(20)3-4-17(15)26-2;1-25-14-6-3-2-5-12(14)13-9-16(22-11-21-13)23-17(24)10-26-15-7-4-8-20-18(15)19;1-24-14-6-3-2-5-12(14)13-9-15(21-11-20-13)22-16(23)10-25-17-18-7-4-8-19-17;;;;/h2-12,14H,13H2,1H3,(H,24,25,26,27);2-3,5,7-11,14H,4,6H2,1H3,(H,23,24,25,26);4-5,7-12H,3,6H2,1-2H3,(H,23,24,25,26);2-8,10-11,15H,9,21H2,1H3,(H,23,24,25,26);3-6,8-11H,7H2,1-2H3,(H,22,23,24,25);2-9,11H,10H2,1H3,(H,21,22,23,24);2-9,11H,10H2,1H3,(H,20,21,22,23);4*1H |
| InChIKey | DGXMQOZWCHRFEO-UHFFFAOYSA-N |
| XLogP | 23.87 |
| TPSA | 596.37 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 191 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2751.44 |
| LogP ≤ 5 | 23.87 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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