C61H60BBrCl2N14O5 — CID 158398661
N-(6-bromoimidazo[1,2-a]pyridin-2-yl)acetamide;N-[6-(2-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,6-dimethylpyridine;N-[6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide (PubChem CID 158398661) has the molecular formula C61H60BBrCl2N14O5 and a molecular weight of 1230.87 g/mol. Its IUPAC name is N-(6-bromoimidazo[1,2-a]pyridin-2-yl)acetamide;N-[6-(2-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,6-dimethylpyridine;N-[6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide.
| Compound Name | N-(6-bromoimidazo[1,2-a]pyridin-2-yl)acetamide;N-[6-(2-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,6-dimethylpyridine;N-[6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide |
|---|---|
| PubChem CID | 158398661 |
| Molecular Formula | C61H60BBrCl2N14O5 |
| Molecular Weight | 1230.87 g/mol |
| Exact Mass | 1228.35 |
| IUPAC Name | N-(6-bromoimidazo[1,2-a]pyridin-2-yl)acetamide;N-[6-(2-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,6-dimethylpyridine;N-[6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide |
| SMILES | CC(=O)Nc1cn2cc(-c3cccnc3-c3cccc(C)n3)ccc2n1.CC(=O)Nc1cn2cc(-c3cccnc3Cl)ccc2n1.CC(=O)Nc1cn2cc(Br)ccc2n1.CC1(C)OB(c2cccnc2Cl)OC1(C)C.Cc1cccc(C)n1 |
| InChI | InChI=1S/C20H17N5O.C14H11ClN4O.C11H15BClNO2.C9H8BrN3O.C7H9N/c1-13-5-3-7-17(22-13)20-16(6-4-10-21-20)15-8-9-19-24-18(23-14(2)26)12-25(19)11-15;1-9(20)17-12-8-19-7-10(4-5-13(19)18-12)11-3-2-6-16-14(11)15;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;1-6(14)11-8-5-13-4-7(10)2-3-9(13)12-8;1-6-4-3-5-7(2)8-6/h3-12H,1-2H3,(H,23,26);2-8H,1H3,(H,17,20);5-7H,1-4H3;2-5H,1H3,(H,11,14);3-5H,1-2H3 |
| InChIKey | GXVJCFHNYBULGJ-UHFFFAOYSA-N |
| XLogP | 12.52 |
| TPSA | 222.11 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 84 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1230.87 |
| LogP ≤ 5 | 12.52 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|