C113H100ClN15O6 — CID 157377368
3-[2-(2-chloro-4-pyridinyl)-4-pyridinyl]-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;7-[4-(2-methylpropoxy)phenyl]-3-phenylimidazo[1,2-a]pyridine;4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenol;4-[2-[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenoxy]ethyl]morpholine;7-(4-propan-2-yloxyphenyl)-3-pyrimidin-5-ylimidazo[1,2-a]pyridine (PubChem CID 157377368) has the molecular formula C113H100ClN15O6 and a molecular weight of 1799.59 g/mol. Its IUPAC name is 3-[2-(2-chloro-4-pyridinyl)-4-pyridinyl]-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;7-[4-(2-methylpropoxy)phenyl]-3-phenylimidazo[1,2-a]pyridine;4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenol;4-[2-[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenoxy]ethyl]morpholine;7-(4-propan-2-yloxyphenyl)-3-pyrimidin-5-ylimidazo[1,2-a]pyridine.
| Compound Name | 3-[2-(2-chloro-4-pyridinyl)-4-pyridinyl]-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;7-[4-(2-methylpropoxy)phenyl]-3-phenylimidazo[1,2-a]pyridine;4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenol;4-[2-[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenoxy]ethyl]morpholine;7-(4-propan-2-yloxyphenyl)-3-pyrimidin-5-ylimidazo[1,2-a]pyridine |
|---|---|
| PubChem CID | 157377368 |
| Molecular Formula | C113H100ClN15O6 |
| Molecular Weight | 1799.59 g/mol |
| Exact Mass | 1797.77 |
| IUPAC Name | 3-[2-(2-chloro-4-pyridinyl)-4-pyridinyl]-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;7-[4-(2-methylpropoxy)phenyl]-3-phenylimidazo[1,2-a]pyridine;4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenol;4-[2-[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenoxy]ethyl]morpholine;7-(4-propan-2-yloxyphenyl)-3-pyrimidin-5-ylimidazo[1,2-a]pyridine |
| SMILES | CC(C)COc1ccc(-c2ccn3c(-c4ccccc4)cnc3c2)cc1.CC(C)Oc1ccc(-c2ccn3c(-c4ccnc(-c5ccnc(Cl)c5)c4)cnc3c2)cc1.CC(C)Oc1ccc(-c2ccn3c(-c4cncnc4)cnc3c2)cc1.Oc1ccc(-c2ccn3c(-c4ccccc4)cnc3c2)cc1.c1ccc(-c2cnc3cc(-c4ccc(OCCN5CCOCC5)cc4)ccn23)cc1 |
| InChI | InChI=1S/C26H21ClN4O.C25H25N3O2.C23H22N2O.C20H18N4O.C19H14N2O/c1-17(2)32-22-5-3-18(4-6-22)19-9-12-31-24(16-30-26(31)15-19)21-8-10-28-23(13-21)20-7-11-29-25(27)14-20;1-2-4-21(5-3-1)24-19-26-25-18-22(10-11-28(24)25)20-6-8-23(9-7-20)30-17-14-27-12-15-29-16-13-27;1-17(2)16-26-21-10-8-18(9-11-21)20-12-13-25-22(15-24-23(25)14-20)19-6-4-3-5-7-19;1-14(2)25-18-5-3-15(4-6-18)16-7-8-24-19(12-23-20(24)9-16)17-10-21-13-22-11-17;22-17-8-6-14(7-9-17)16-10-11-21-18(13-20-19(21)12-16)15-4-2-1-3-5-15/h3-17H,1-2H3;1-11,18-19H,12-17H2;3-15,17H,16H2,1-2H3;3-14H,1-2H3;1-13,22H |
| InChIKey | BKMABNJNODTJQX-UHFFFAOYSA-N |
| XLogP | 25.27 |
| TPSA | 207.68 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 135 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1799.59 |
| LogP ≤ 5 | 25.27 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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