C124H124N18O12 — CID 167683888
1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol (PubChem CID 167683888) has the molecular formula C124H124N18O12 and a molecular weight of 2058.47 g/mol. Its IUPAC name is 1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol.
| Compound Name | 1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol |
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| PubChem CID | 167683888 |
| Molecular Formula | C124H124N18O12 |
| Molecular Weight | 2058.47 g/mol |
| Exact Mass | 2056.96 |
| IUPAC Name | 1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol |
| SMILES | CC(C)(C)Nc1c(-c2c(O)ccc3ccccc23)nc2ccccn12.CC(C)(C)Nc1c(-c2ccc(O)c(O)c2O)nc2ccccn12.COCCNc1c(-c2c(O)ccc3ccccc23)nc2ccccn12.COCCNc1c(-c2ccc(O)c(O)c2O)nc2ccccn12.COc1ccc(Nc2c(CCc3ccc(C(C)(C)C)cc3)nc3ccccn23)cc1.Oc1ccc2ccccc2c1-c1nc2ccccn2c1NCc1ccccc1 |
| InChI | InChI=1S/C26H29N3O.C24H19N3O.C21H21N3O.C20H19N3O2.C17H19N3O3.C16H17N3O4/c1-26(2,3)20-11-8-19(9-12-20)10-17-23-25(29-18-6-5-7-24(29)28-23)27-21-13-15-22(30-4)16-14-21;28-20-14-13-18-10-4-5-11-19(18)22(20)23-24(25-16-17-8-2-1-3-9-17)27-15-7-6-12-21(27)26-23;1-21(2,3)23-20-19(22-17-10-6-7-13-24(17)20)18-15-9-5-4-8-14(15)11-12-16(18)25;1-25-13-11-21-20-19(22-17-8-4-5-12-23(17)20)18-15-7-3-2-6-14(15)9-10-16(18)24;1-17(2,3)19-16-13(18-12-6-4-5-9-20(12)16)10-7-8-11(21)15(23)14(10)22;1-23-9-7-17-16-13(18-12-4-2-3-8-19(12)16)10-5-6-11(20)15(22)14(10)21/h5-9,11-16,18,27H,10,17H2,1-4H3;1-15,25,28H,16H2;4-13,23,25H,1-3H3;2-10,12,21,24H,11,13H2,1H3;4-9,19,21-23H,1-3H3;2-6,8,17,20-22H,7,9H2,1H3 |
| InChIKey | VXXWUONNZFHYGR-UHFFFAOYSA-N |
| XLogP | 26.14 |
| TPSA | 385.74 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 154 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2058.47 |
| LogP ≤ 5 | 26.14 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'} |
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