C145H174Cl4F2N20O8 — CID 167588461
4-(4-tert-butyl-3-chlorophenyl)-1-methylpyridin-2-one;5-(4-tert-butyl-3-chlorophenyl)-1H-pyridin-2-one;2-(4-tert-butyl-3-chlorophenyl)triazole;2-tert-butyl-3-chloro-5-(1H-pyrazol-4-yl)phenol;5-(4-tert-butyl-3-fluorophenyl)pyridin-2-amine;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)pyridine;4-(4-tert-butyl-3-methoxyphenyl)-2-methoxypyridine;5-(4-tert-butyl-3-methoxyphenyl)-2-methoxypyridine;1-(4-tert-butyl-3-methoxyphenyl)-N-methylpyrazol-3-amine;2-tert-butyl-5-(1-methylpyrazol-4-yl)pyridine (PubChem CID 167588461) has the molecular formula C145H174Cl4F2N20O8 and a molecular weight of 2504.93 g/mol. Its IUPAC name is 4-(4-tert-butyl-3-chlorophenyl)-1-methylpyridin-2-one;5-(4-tert-butyl-3-chlorophenyl)-1H-pyridin-2-one;2-(4-tert-butyl-3-chlorophenyl)triazole;2-tert-butyl-3-chloro-5-(1H-pyrazol-4-yl)phenol;5-(4-tert-butyl-3-fluorophenyl)pyridin-2-amine;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)pyridine;4-(4-tert-butyl-3-methoxyphenyl)-2-methoxypyridine;5-(4-tert-butyl-3-methoxyphenyl)-2-methoxypyridine;1-(4-tert-butyl-3-methoxyphenyl)-N-methylpyrazol-3-amine;2-tert-butyl-5-(1-methylpyrazol-4-yl)pyridine.
| Compound Name | 4-(4-tert-butyl-3-chlorophenyl)-1-methylpyridin-2-one;5-(4-tert-butyl-3-chlorophenyl)-1H-pyridin-2-one;2-(4-tert-butyl-3-chlorophenyl)triazole;2-tert-butyl-3-chloro-5-(1H-pyrazol-4-yl)phenol;5-(4-tert-butyl-3-fluorophenyl)pyridin-2-amine;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)pyridine;4-(4-tert-butyl-3-methoxyphenyl)-2-methoxypyridine;5-(4-tert-butyl-3-methoxyphenyl)-2-methoxypyridine;1-(4-tert-butyl-3-methoxyphenyl)-N-methylpyrazol-3-amine;2-tert-butyl-5-(1-methylpyrazol-4-yl)pyridine |
|---|---|
| PubChem CID | 167588461 |
| Molecular Formula | C145H174Cl4F2N20O8 |
| Molecular Weight | 2504.93 g/mol |
| Exact Mass | 2501.25 |
| IUPAC Name | 4-(4-tert-butyl-3-chlorophenyl)-1-methylpyridin-2-one;5-(4-tert-butyl-3-chlorophenyl)-1H-pyridin-2-one;2-(4-tert-butyl-3-chlorophenyl)triazole;2-tert-butyl-3-chloro-5-(1H-pyrazol-4-yl)phenol;5-(4-tert-butyl-3-fluorophenyl)pyridin-2-amine;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)pyridine;4-(4-tert-butyl-3-methoxyphenyl)-2-methoxypyridine;5-(4-tert-butyl-3-methoxyphenyl)-2-methoxypyridine;1-(4-tert-butyl-3-methoxyphenyl)-N-methylpyrazol-3-amine;2-tert-butyl-5-(1-methylpyrazol-4-yl)pyridine |
| SMILES | CC(C)(C)c1c(O)cc(-c2cn[nH]c2)cc1Cl.CC(C)(C)c1ccc(-c2ccc(=O)[nH]c2)cc1Cl.CC(C)(C)c1ccc(-c2ccc(N)nc2)cc1F.CC(C)(C)c1ccc(-n2nccn2)cc1Cl.CC(C)(C)c1ncc(-c2cn[nH]c2)cc1F.CNc1ccn(-c2ccc(C(C)(C)C)c(OC)c2)n1.COc1cc(-c2ccc(C(C)(C)C)c(OC)c2)ccn1.COc1ccc(-c2ccc(C(C)(C)C)c(OC)c2)cn1.Cn1cc(-c2ccc(C(C)(C)C)nc2)cn1.Cn1ccc(-c2ccc(C(C)(C)C)c(Cl)c2)cc1=O |
| InChI | InChI=1S/2C17H21NO2.C16H18ClNO.C15H16ClNO.C15H17FN2.C15H21N3O.C13H15ClN2O.C13H17N3.C12H14ClN3.C12H14FN3/c1-17(2,3)14-8-6-12(10-15(14)19-4)13-7-9-16(20-5)18-11-13;1-17(2,3)14-7-6-12(10-15(14)19-4)13-8-9-18-16(11-13)20-5;1-16(2,3)13-6-5-11(9-14(13)17)12-7-8-18(4)15(19)10-12;1-15(2,3)12-6-4-10(8-13(12)16)11-5-7-14(18)17-9-11;1-15(2,3)12-6-4-10(8-13(12)16)11-5-7-14(17)18-9-11;1-15(2,3)12-7-6-11(10-13(12)19-5)18-9-8-14(16-4)17-18;1-13(2,3)12-10(14)4-8(5-11(12)17)9-6-15-16-7-9;1-13(2,3)12-6-5-10(7-14-12)11-8-15-16(4)9-11;1-12(2,3)10-5-4-9(8-11(10)13)16-14-6-7-15-16;1-12(2,3)11-10(13)4-8(5-14-11)9-6-15-16-7-9/h2*6-11H,1-5H3;5-10H,1-4H3;4-9H,1-3H3,(H,17,18);4-9H,1-3H3,(H2,17,18);6-10H,1-5H3,(H,16,17);4-7,17H,1-3H3,(H,15,16);5-9H,1-4H3;4-8H,1-3H3;4-7H,1-3H3,(H,15,16) |
| InChIKey | ICNLBQFSWJLERW-UHFFFAOYSA-N |
| XLogP | 35.75 |
| TPSA | 347.45 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 179 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2504.93 |
| LogP ≤ 5 | 35.75 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 25 |