C84H72BI2N15O10 — CID 162137040
2-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyridin-3-ol;imidazo[1,5-a]pyridine;2-iodo-3-methoxypyridine;1-iodo-3-(3-methoxy-2-pyridinyl)imidazo[1,5-a]pyridine;(2-methoxyphenyl)boronic acid;1-(2-methoxyphenyl)-3-(3-methoxy-2-pyridinyl)imidazo[1,5-a]pyridine;3-(3-methoxy-2-pyridinyl)imidazo[1,5-a]pyridine (PubChem CID 162137040) has the molecular formula C84H72BI2N15O10 and a molecular weight of 1716.21 g/mol. Its IUPAC name is 2-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyridin-3-ol;imidazo[1,5-a]pyridine;2-iodo-3-methoxypyridine;1-iodo-3-(3-methoxy-2-pyridinyl)imidazo[1,5-a]pyridine;(2-methoxyphenyl)boronic acid;1-(2-methoxyphenyl)-3-(3-methoxy-2-pyridinyl)imidazo[1,5-a]pyridine;3-(3-methoxy-2-pyridinyl)imidazo[1,5-a]pyridine.
| Compound Name | 2-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyridin-3-ol;imidazo[1,5-a]pyridine;2-iodo-3-methoxypyridine;1-iodo-3-(3-methoxy-2-pyridinyl)imidazo[1,5-a]pyridine;(2-methoxyphenyl)boronic acid;1-(2-methoxyphenyl)-3-(3-methoxy-2-pyridinyl)imidazo[1,5-a]pyridine;3-(3-methoxy-2-pyridinyl)imidazo[1,5-a]pyridine |
|---|---|
| PubChem CID | 162137040 |
| Molecular Formula | C84H72BI2N15O10 |
| Molecular Weight | 1716.21 g/mol |
| Exact Mass | 1715.38 |
| IUPAC Name | 2-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyridin-3-ol;imidazo[1,5-a]pyridine;2-iodo-3-methoxypyridine;1-iodo-3-(3-methoxy-2-pyridinyl)imidazo[1,5-a]pyridine;(2-methoxyphenyl)boronic acid;1-(2-methoxyphenyl)-3-(3-methoxy-2-pyridinyl)imidazo[1,5-a]pyridine;3-(3-methoxy-2-pyridinyl)imidazo[1,5-a]pyridine |
| SMILES | COc1ccccc1-c1nc(-c2ncccc2OC)n2ccccc12.COc1ccccc1B(O)O.COc1cccnc1-c1nc(I)c2ccccn12.COc1cccnc1-c1ncc2ccccn12.COc1cccnc1I.Oc1ccccc1-c1nc(-c2ncccc2O)n2ccccc12.c1ccn2cncc2c1 |
| InChI | InChI=1S/C20H17N3O2.C18H13N3O2.C13H10IN3O.C13H11N3O.C7H9BO3.C7H6N2.C6H6INO/c1-24-16-10-4-3-8-14(16)18-15-9-5-6-13-23(15)20(22-18)19-17(25-2)11-7-12-21-19;22-14-8-2-1-6-12(14)16-13-7-3-4-11-21(13)18(20-16)17-15(23)9-5-10-19-17;1-18-10-6-4-7-15-11(10)13-16-12(14)9-5-2-3-8-17(9)13;1-17-11-6-4-7-14-12(11)13-15-9-10-5-2-3-8-16(10)13;1-11-7-5-3-2-4-6(7)8(9)10;1-2-4-9-6-8-5-7(9)3-1;1-9-5-3-2-4-8-6(5)7/h3-13H,1-2H3;1-11,22-23H;2-8H,1H3;2-9H,1H3;2-5,9-10H,1H3;1-6H;2-4H,1H3 |
| InChIKey | ZJKVORXKJHAFIO-UHFFFAOYSA-N |
| XLogP | 15.37 |
| TPSA | 287.25 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 112 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1716.21 |
| LogP ≤ 5 | 15.37 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'} |
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