About 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(6S)-2-amino-5-(1-benzofuran-6-yl)-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]thiophen-3-yl]-5-fluorobenzonitrile;(5R)-2-amino-5-[3-(4-bromo-2-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[3-(3-methylphenyl)propyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide;2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one
3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(6S)-2-amino-5-(1-benzofuran-6-yl)-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]thiophen-3-yl]-5-fluorobenzonitrile;(5R)-2-amino-5-[3-(4-bromo-2-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[3-(3-methylphenyl)propyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide;2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one (PubChem CID 159920466) has the molecular formula C140H154BrFN26O10S2
and a molecular weight of 2523.98 g/mol. Its IUPAC name is 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(6S)-2-amino-5-(1-benzofuran-6-yl)-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]thiophen-3-yl]-5-fluorobenzonitrile;(5R)-2-amino-5-[3-(4-bromo-2-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[3-(3-methylphenyl)propyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide;2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one.
Frequently Asked Questions
What is the IUPAC name of 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(6S)-2-amino-5-(1-benzofuran-6-yl)-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]thiophen-3-yl]-5-fluorobenzonitrile;(5R)-2-amino-5-[3-(4-bromo-2-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[3-(3-methylphenyl)propyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide;2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one?
The IUPAC name of 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(6S)-2-amino-5-(1-benzofuran-6-yl)-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]thiophen-3-yl]-5-fluorobenzonitrile;(5R)-2-amino-5-[3-(4-bromo-2-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[3-(3-methylphenyl)propyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide;2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one (CID 159920466) is 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(6S)-2-amino-5-(1-benzofuran-6-yl)-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]thiophen-3-yl]-5-fluorobenzonitrile;(5R)-2-amino-5-[3-(4-bromo-2-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[3-(3-methylphenyl)propyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide;2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one.
What is the SMILES notation for 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(6S)-2-amino-5-(1-benzofuran-6-yl)-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]thiophen-3-yl]-5-fluorobenzonitrile;(5R)-2-amino-5-[3-(4-bromo-2-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[3-(3-methylphenyl)propyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide;2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one?
The canonical SMILES for 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(6S)-2-amino-5-(1-benzofuran-6-yl)-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]thiophen-3-yl]-5-fluorobenzonitrile;(5R)-2-amino-5-[3-(4-bromo-2-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[3-(3-methylphenyl)propyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide;2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one is CC(=O)N1CCC[C@H](CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)C1.CN1C(=O)[C@](c2cccc(-c3cc(Br)ccn3)c2)(C2CC2)N=C1N.CN1CC(c2ccc3ccoc3c2)[C@@](C)(c2cc(-c3cc(F)cc(C#N)c3)cs2)N=C1N.COc1ccc(CNC(=O)N2CCCC([C@]3(C)CC(=O)N(C)C(N)=N3)C2)cc1.Cc1cccc(CCCC2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccc(C#N)c3)cs2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(6S)-2-amino-5-(1-benzofuran-6-yl)-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]thiophen-3-yl]-5-fluorobenzonitrile;(5R)-2-amino-5-[3-(4-bromo-2-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[3-(3-methylphenyl)propyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide;2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one?
The InChIKey is NYIGZHDTFWZWBE-FYKQTTDZSA-N. The full InChI is InChI=1S/C27H33N5O2.C27H28N4OS.C25H21FN4OS.C23H26N4O2.C20H29N5O3.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;1-18-7-4-8-19(13-18)9-6-12-23-25(32)31(3)26(29)30-27(23,2)24-15-22(17-33-24)21-11-5-10-20(14-21)16-28;1-25(23-11-19(14-32-23)18-7-15(12-27)8-20(26)9-18)21(13-30(2)24(28)29-25)17-4-3-16-5-6-31-22(16)10-17;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;1-20(11-17(26)24(2)18(21)23-20)15-5-4-10-25(13-15)19(27)22-12-14-6-8-16(28-3)9-7-14;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);4-5,7-8,10-11,13-15,17,23H,6,9,12H2,1-3H3,(H2,29,30);3-11,14,21H,13H2,1-2H3,(H2,28,29);2-7,10-13,18H,8-9,14-16H2,1H3,(H2,24,25);6-9,15H,4-5,10-13H2,1-3H3,(H2,21,23)(H,22,27);2-4,7-10,12H,5-6H2,1H3,(H2,20,22)/t;23?,27-;21?,25-;18-;15?,20-;18-/m.00001/s1.
What are the key properties of 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(6S)-2-amino-5-(1-benzofuran-6-yl)-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]thiophen-3-yl]-5-fluorobenzonitrile;(5R)-2-amino-5-[3-(4-bromo-2-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[3-(3-methylphenyl)propyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide;2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one?
3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(6S)-2-amino-5-(1-benzofuran-6-yl)-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]thiophen-3-yl]-5-fluorobenzonitrile;(5R)-2-amino-5-[3-(4-bromo-2-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[3-(3-methylphenyl)propyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide;2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one has a molecular weight of 2523.98 g/mol, XLogP of 19.79, 25 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(6S)-2-amino-5-(1-benzofuran-6-yl)-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]thiophen-3-yl]-5-fluorobenzonitrile;(5R)-2-amino-5-[3-(4-bromo-2-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[3-(3-methylphenyl)propyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide;2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one is sourced from PubChem (CID 159920466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).