C109H91ClN20O2 — CID 158430256
2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(3-chloro-7-phenylnaphthalen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 158430256) has the molecular formula C109H91ClN20O2 and a molecular weight of 1748.52 g/mol. Its IUPAC name is 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(3-chloro-7-phenylnaphthalen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
| Compound Name | 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(3-chloro-7-phenylnaphthalen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine |
|---|---|
| PubChem CID | 158430256 |
| Molecular Formula | C109H91ClN20O2 |
| Molecular Weight | 1748.52 g/mol |
| Exact Mass | 1746.73 |
| IUPAC Name | 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(3-chloro-7-phenylnaphthalen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine |
| SMILES | CC(C)(C)c1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)nccn12.Cc1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)nccn12.Nc1nccn2c(C3CCC(CN4C(=O)c5ccccc5C4=O)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CCC3)nc(-c3cc4cc(-c5ccccc5)ccc4cc3Cl)c12 |
| InChI | InChI=1S/C36H30N6O2.C26H21ClN4.C25H23N5.C22H17N5/c37-33-32-31(26-15-14-24-16-17-29(39-30(24)20-26)23-6-2-1-3-7-23)40-34(41(32)19-18-38-33)25-12-10-22(11-13-25)21-42-35(43)27-8-4-5-9-28(27)36(42)44;27-22-15-19-10-9-18(16-5-2-1-3-6-16)13-20(19)14-21(22)23-24-25(28)29-11-12-31(24)26(30-23)17-7-4-8-17;1-25(2,3)24-29-21(22-23(26)27-13-14-30(22)24)18-10-9-17-11-12-19(28-20(17)15-18)16-7-5-4-6-8-16;1-14-25-20(21-22(23)24-11-12-27(14)21)17-8-7-16-9-10-18(26-19(16)13-17)15-5-3-2-4-6-15/h1-9,14-20,22,25H,10-13,21H2,(H2,37,38);1-3,5-6,9-15,17H,4,7-8H2,(H2,28,29);4-15H,1-3H3,(H2,26,27);2-13H,1H3,(H2,23,24) |
| InChIKey | HBOKKJSQYXRFCD-UHFFFAOYSA-N |
| XLogP | 23.48 |
| TPSA | 300.89 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 132 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1748.52 |
| LogP ≤ 5 | 23.48 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
|---|