2-amino-3-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;5-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)-5-iminopyrrolidin-2-one

C123H120ClF4N21O8S3 — CID 161423439

About 2-amino-3-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;5-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)-5-iminopyrrolidin-2-one

2-amino-3-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;5-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)-5-iminopyrrolidin-2-one (PubChem CID 161423439) has the molecular formula C123H120ClF4N21O8S3 and a molecular weight of 2228.10 g/mol. Its IUPAC name is 2-amino-3-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;5-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)-5-iminopyrrolidin-2-one.

Molecular Properties

• Compound Name: 2-amino-3-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;5-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)-5-iminopyrrolidin-2-one
• PubChem CID: 161423439
• Molecular Formula: C123H120ClF4N21O8S3
• Molecular Weight: 2228.10 g/mol
• Exact Mass: 2225.84
• IUPAC Name: 2-amino-3-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;5-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)-5-iminopyrrolidin-2-one
• SMILES: CCCC(=O)N1CCC[C@H](CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)C1.CCN1C(=O)[C@H](c2ccc(C3(C#N)CC3)cc2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2cc(-c3cncc(C#N)c3)cs2)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2cc(-c3cncc(C#N)c3)cs2)N=C1N.[H]/N=C1\CC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1C(CO)CO
• InChI: InChI=1S/C28H25N5OS.C25H30N4O2.2C24H21F2N5OS.C22H23ClN2O3/c1-3-33-25(34)24(19-7-9-22(10-8-19)28(17-30)11-12-28)27(2,32-26(33)31)23-14-21(16-35-23)20-6-4-5-18(13-20)15-29;1-2-10-22(30)28-16-9-11-19(17-28)18-29-23(31)25(27-24(29)26,20-12-5-3-6-13-20)21-14-7-4-8-15-21;2*1-23(19-9-17(13-33-19)16-8-14(10-27)11-29-12-16)20(21(32)31(3)22(28)30-23)15-4-6-18(7-5-15)24(2,25)26;23-18-6-2-4-15(10-18)14-3-1-5-17(9-14)22(16-7-8-16)11-20(24)25(21(22)28)19(12-26)13-27/h4-10,13-14,16,24H,3,11-12H2,1-2H3,(H2,31,32);3-8,12-15,19H,2,9-11,16-18H2,1H3,(H2,26,27);2*4-9,11-13,20H,1-3H3,(H2,28,30);1-6,9-10,16,19,24,26-27H,7-8,11-13H2/b;;;;24-20+/t24-,27+;19-;20-,23+;20-,23-;/m0001./s1
• InChIKey: VXAQRIIAFJICPA-FBNYAPOCSA-N
• XLogP: 20.52
• TPSA: 460.63 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2228.10
LogP ≤ 5	20.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;5-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)-5-iminopyrrolidin-2-one?

The IUPAC name of 2-amino-3-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;5-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)-5-iminopyrrolidin-2-one (CID 161423439) is 2-amino-3-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;5-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)-5-iminopyrrolidin-2-one.

What is the SMILES notation for 2-amino-3-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;5-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)-5-iminopyrrolidin-2-one?

The canonical SMILES for 2-amino-3-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;5-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)-5-iminopyrrolidin-2-one is CCCC(=O)N1CCC[C@H](CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)C1.CCN1C(=O)[C@H](c2ccc(C3(C#N)CC3)cc2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2cc(-c3cncc(C#N)c3)cs2)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2cc(-c3cncc(C#N)c3)cs2)N=C1N.[H]/N=C1\CC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1C(CO)CO.

What is the InChIKey of 2-amino-3-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;5-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)-5-iminopyrrolidin-2-one?

The InChIKey is VXAQRIIAFJICPA-FBNYAPOCSA-N. The full InChI is InChI=1S/C28H25N5OS.C25H30N4O2.2C24H21F2N5OS.C22H23ClN2O3/c1-3-33-25(34)24(19-7-9-22(10-8-19)28(17-30)11-12-28)27(2,32-26(33)31)23-14-21(16-35-23)20-6-4-5-18(13-20)15-29;1-2-10-22(30)28-16-9-11-19(17-28)18-29-23(31)25(27-24(29)26,20-12-5-3-6-13-20)21-14-7-4-8-15-21;2*1-23(19-9-17(13-33-19)16-8-14(10-27)11-29-12-16)20(21(32)31(3)22(28)30-23)15-4-6-18(7-5-15)24(2,25)26;23-18-6-2-4-15(10-18)14-3-1-5-17(9-14)22(16-7-8-16)11-20(24)25(21(22)28)19(12-26)13-27/h4-10,13-14,16,24H,3,11-12H2,1-2H3,(H2,31,32);3-8,12-15,19H,2,9-11,16-18H2,1H3,(H2,26,27);2*4-9,11-13,20H,1-3H3,(H2,28,30);1-6,9-10,16,19,24,26-27H,7-8,11-13H2/b;;;;24-20+/t24-,27+;19-;20-,23+;20-,23-;/m0001./s1.

What are the key properties of 2-amino-3-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;5-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)-5-iminopyrrolidin-2-one?

2-amino-3-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;5-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)-5-iminopyrrolidin-2-one has a molecular weight of 2228.10 g/mol, XLogP of 20.52, 25 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;5-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)-5-iminopyrrolidin-2-one is sourced from PubChem (CID 161423439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).