C112H121Br2ClN20O8 — CID 158306870
(5R)-3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropylimidazol-4-one;3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-2-amino-5,5-diphenylimidazol-4-one;(5R)-2-amino-5-[3-(4-bromo-2-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3H-pyrrol-4-one;2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one (PubChem CID 158306870) has the molecular formula C112H121Br2ClN20O8 and a molecular weight of 2070.59 g/mol. Its IUPAC name is (5R)-3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropylimidazol-4-one;3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-2-amino-5,5-diphenylimidazol-4-one;(5R)-2-amino-5-[3-(4-bromo-2-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3H-pyrrol-4-one;2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one.
| Compound Name | (5R)-3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropylimidazol-4-one;3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-2-amino-5,5-diphenylimidazol-4-one;(5R)-2-amino-5-[3-(4-bromo-2-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3H-pyrrol-4-one;2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one |
|---|---|
| PubChem CID | 158306870 |
| Molecular Formula | C112H121Br2ClN20O8 |
| Molecular Weight | 2070.59 g/mol |
| Exact Mass | 2066.77 |
| IUPAC Name | (5R)-3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropylimidazol-4-one;3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-2-amino-5,5-diphenylimidazol-4-one;(5R)-2-amino-5-[3-(4-bromo-2-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3H-pyrrol-4-one;2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one |
| SMILES | CC(=O)N1CCC(CN2C(=O)[C@](c3cccc(-c4cncc(Br)c4)c3)(C3CC3)N=C2N)CC1.CC(=O)N1CCC[C@H](CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)C1.CN1C(=O)[C@](c2cccc(-c3cc(Br)ccn3)c2)(C2CC2)N=C1N.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)C1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)C2CCNCC2)CC1 |
| InChI | InChI=1S/C27H33N5O2.C25H28BrN5O2.C23H26N4O2.C19H17ClN2O.C18H17BrN4O/c28-26-30-27(22-7-3-1-4-8-22,23-9-5-2-6-10-23)25(34)32(26)19-20-13-17-31(18-14-20)24(33)21-11-15-29-16-12-21;1-16(32)30-9-7-17(8-10-30)15-31-23(33)25(20-5-6-20,29-24(31)27)21-4-2-3-18(11-21)19-12-22(26)14-28-13-19;1-17(28)26-14-8-9-18(15-26)16-27-21(29)23(25-22(27)24,19-10-4-2-5-11-19)20-12-6-3-7-13-20;20-16-6-2-4-13(10-16)12-3-1-5-15(9-12)19(14-7-8-14)17(23)11-18(21)22-19;1-23-16(24)18(12-5-6-12,22-17(23)20)13-4-2-3-11(9-13)15-10-14(19)7-8-21-15/h1-10,20-21,29H,11-19H2,(H2,28,30);2-4,11-14,17,20H,5-10,15H2,1H3,(H2,27,29);2-7,10-13,18H,8-9,14-16H2,1H3,(H2,24,25);1-6,9-10,14H,7-8,11H2,(H2,21,22);2-4,7-10,12H,5-6H2,1H3,(H2,20,22)/t;25-;18-;;18-/m.10.1/s1 |
| InChIKey | GNELVJAOMKGVEQ-RHAIZXQASA-N |
| XLogP | 15.05 |
| TPSA | 388.95 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 143 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2070.59 |
| LogP ≤ 5 | 15.05 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 21 |