3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]phenyl]phenyl]-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorothiophen-3-yl]pyridine-3-carbonitrile;2-[3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorophenyl]phenyl]acetonitrile;2-amino-5,5-diphenyl-3-(pyridin-4-ylmethyl)imidazol-4-one;2-amino-4-[[3-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4H-imidazol-5-one

C114H114F2N22O8S2 — CID 159949040

About 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]phenyl]phenyl]-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorothiophen-3-yl]pyridine-3-carbonitrile;2-[3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorophenyl]phenyl]acetonitrile;2-amino-5,5-diphenyl-3-(pyridin-4-ylmethyl)imidazol-4-one;2-amino-4-[[3-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4H-imidazol-5-one

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]phenyl]phenyl]-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorothiophen-3-yl]pyridine-3-carbonitrile;2-[3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorophenyl]phenyl]acetonitrile;2-amino-5,5-diphenyl-3-(pyridin-4-ylmethyl)imidazol-4-one;2-amino-4-[[3-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4H-imidazol-5-one (PubChem CID 159949040) has the molecular formula C114H114F2N22O8S2 and a molecular weight of 2022.44 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]phenyl]phenyl]-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorothiophen-3-yl]pyridine-3-carbonitrile;2-[3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorophenyl]phenyl]acetonitrile;2-amino-5,5-diphenyl-3-(pyridin-4-ylmethyl)imidazol-4-one;2-amino-4-[[3-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4H-imidazol-5-one.

Molecular Properties

• Compound Name: 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]phenyl]phenyl]-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorothiophen-3-yl]pyridine-3-carbonitrile;2-[3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorophenyl]phenyl]acetonitrile;2-amino-5,5-diphenyl-3-(pyridin-4-ylmethyl)imidazol-4-one;2-amino-4-[[3-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4H-imidazol-5-one
• PubChem CID: 159949040
• Molecular Formula: C114H114F2N22O8S2
• Molecular Weight: 2022.44 g/mol
• Exact Mass: 2020.86
• IUPAC Name: 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]phenyl]phenyl]-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorothiophen-3-yl]pyridine-3-carbonitrile;2-[3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorophenyl]phenyl]acetonitrile;2-amino-5,5-diphenyl-3-(pyridin-4-ylmethyl)imidazol-4-one;2-amino-4-[[3-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4H-imidazol-5-one
• SMILES: CN1C(=O)C[C@@](C)(c2ccc(F)c(-c3cccc(CC#N)c3)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cncc(C#N)c3)c(F)s2)N=C1N.COc1ccc(CNc2nc(C)cs2)c(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.COc1cccc(-c2cccc(CC3N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccncc1
• InChI: InChI=1S/C30H36N6O3S.C25H22FN5OS.C21H18N4O.C20H19FN4O.C18H19N3O2/c1-19-18-40-29(33-19)32-16-23-8-9-25(39-4)15-26(23)22-6-5-7-24(14-22)30(3)27(38)36(28(31)34-30)17-21-10-12-35(13-11-21)20(2)37;1-25(20-10-19(22(26)33-20)18-9-14(11-27)12-29-13-18)21(23(32)31(2)24(28)30-25)17-7-5-16(6-8-17)15-3-4-15;22-20-24-21(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19(26)25(20)15-16-11-13-23-14-12-16;1-20(12-18(26)25(2)19(23)24-20)15-6-7-17(21)16(11-15)14-5-3-4-13(10-14)8-9-22;1-21-17(22)16(20-18(21)19)10-12-5-3-6-13(9-12)14-7-4-8-15(11-14)23-2/h5-9,14-15,18,21H,10-13,16-17H2,1-4H3,(H2,31,34)(H,32,33);5-10,12-13,15,21H,3-4H2,1-2H3,(H2,28,30);1-14H,15H2,(H2,22,24);3-7,10-11H,8,12H2,1-2H3,(H2,23,24);3-9,11,16H,10H2,1-2H3,(H2,19,20)/t;21-,25+;;20-;/m.0.0./s1
• InChIKey: OBWCHPSEIWKOJC-VAFKQYHPSA-N
• XLogP: 16.55
• TPSA: 430.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2022.44
LogP ≤ 5	16.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]phenyl]phenyl]-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorothiophen-3-yl]pyridine-3-carbonitrile;2-[3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorophenyl]phenyl]acetonitrile;2-amino-5,5-diphenyl-3-(pyridin-4-ylmethyl)imidazol-4-one;2-amino-4-[[3-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4H-imidazol-5-one?

The IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]phenyl]phenyl]-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorothiophen-3-yl]pyridine-3-carbonitrile;2-[3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorophenyl]phenyl]acetonitrile;2-amino-5,5-diphenyl-3-(pyridin-4-ylmethyl)imidazol-4-one;2-amino-4-[[3-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4H-imidazol-5-one (CID 159949040) is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]phenyl]phenyl]-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorothiophen-3-yl]pyridine-3-carbonitrile;2-[3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorophenyl]phenyl]acetonitrile;2-amino-5,5-diphenyl-3-(pyridin-4-ylmethyl)imidazol-4-one;2-amino-4-[[3-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4H-imidazol-5-one.

What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]phenyl]phenyl]-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorothiophen-3-yl]pyridine-3-carbonitrile;2-[3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorophenyl]phenyl]acetonitrile;2-amino-5,5-diphenyl-3-(pyridin-4-ylmethyl)imidazol-4-one;2-amino-4-[[3-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4H-imidazol-5-one?

The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]phenyl]phenyl]-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorothiophen-3-yl]pyridine-3-carbonitrile;2-[3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorophenyl]phenyl]acetonitrile;2-amino-5,5-diphenyl-3-(pyridin-4-ylmethyl)imidazol-4-one;2-amino-4-[[3-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4H-imidazol-5-one is CN1C(=O)C[C@@](C)(c2ccc(F)c(-c3cccc(CC#N)c3)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cncc(C#N)c3)c(F)s2)N=C1N.COc1ccc(CNc2nc(C)cs2)c(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.COc1cccc(-c2cccc(CC3N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccncc1.

What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]phenyl]phenyl]-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorothiophen-3-yl]pyridine-3-carbonitrile;2-[3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorophenyl]phenyl]acetonitrile;2-amino-5,5-diphenyl-3-(pyridin-4-ylmethyl)imidazol-4-one;2-amino-4-[[3-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4H-imidazol-5-one?

The InChIKey is OBWCHPSEIWKOJC-VAFKQYHPSA-N. The full InChI is InChI=1S/C30H36N6O3S.C25H22FN5OS.C21H18N4O.C20H19FN4O.C18H19N3O2/c1-19-18-40-29(33-19)32-16-23-8-9-25(39-4)15-26(23)22-6-5-7-24(14-22)30(3)27(38)36(28(31)34-30)17-21-10-12-35(13-11-21)20(2)37;1-25(20-10-19(22(26)33-20)18-9-14(11-27)12-29-13-18)21(23(32)31(2)24(28)30-25)17-7-5-16(6-8-17)15-3-4-15;22-20-24-21(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19(26)25(20)15-16-11-13-23-14-12-16;1-20(12-18(26)25(2)19(23)24-20)15-6-7-17(21)16(11-15)14-5-3-4-13(10-14)8-9-22;1-21-17(22)16(20-18(21)19)10-12-5-3-6-13(9-12)14-7-4-8-15(11-14)23-2/h5-9,14-15,18,21H,10-13,16-17H2,1-4H3,(H2,31,34)(H,32,33);5-10,12-13,15,21H,3-4H2,1-2H3,(H2,28,30);1-14H,15H2,(H2,22,24);3-7,10-11H,8,12H2,1-2H3,(H2,23,24);3-9,11,16H,10H2,1-2H3,(H2,19,20)/t;21-,25+;;20-;/m.0.0./s1.

What are the key properties of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]phenyl]phenyl]-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorothiophen-3-yl]pyridine-3-carbonitrile;2-[3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorophenyl]phenyl]acetonitrile;2-amino-5,5-diphenyl-3-(pyridin-4-ylmethyl)imidazol-4-one;2-amino-4-[[3-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4H-imidazol-5-one?

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]phenyl]phenyl]-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorothiophen-3-yl]pyridine-3-carbonitrile;2-[3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorophenyl]phenyl]acetonitrile;2-amino-5,5-diphenyl-3-(pyridin-4-ylmethyl)imidazol-4-one;2-amino-4-[[3-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4H-imidazol-5-one has a molecular weight of 2022.44 g/mol, XLogP of 16.55, 23 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]phenyl]phenyl]-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorothiophen-3-yl]pyridine-3-carbonitrile;2-[3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorophenyl]phenyl]acetonitrile;2-amino-5,5-diphenyl-3-(pyridin-4-ylmethyl)imidazol-4-one;2-amino-4-[[3-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4H-imidazol-5-one is sourced from PubChem (CID 159949040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).