(5R)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazol-1-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione

C92H75F3N18O16 — CID 158726926

About (5R)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazol-1-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione

(5R)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazol-1-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione (PubChem CID 158726926) has the molecular formula C92H75F3N18O16 and a molecular weight of 1745.72 g/mol. Its IUPAC name is (5R)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazol-1-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazol-1-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione
• PubChem CID: 158726926
• Molecular Formula: C92H75F3N18O16
• Molecular Weight: 1745.72 g/mol
• Exact Mass: 1744.56
• IUPAC Name: (5R)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazol-1-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-n4ccc(C(F)(F)F)n4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-n4cccn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)CN(C[C@@]1(c3ccc(-c4ccncc4)cc3)NC(=O)NC1=O)C2=O.O=C1NC(=O)[C@](CN2Cc3cc(O)ccc3C2=O)(c2ccc(-c3ccncc3)cc2)N1
• InChI: InChI=1S/C24H20N4O4.C23H18F3N5O4.C23H18N4O4.C22H19N5O4/c1-32-19-6-7-20-17(12-19)13-28(21(20)29)14-24(22(30)26-23(31)27-24)18-4-2-15(3-5-18)16-8-10-25-11-9-16;1-35-16-7-2-13-11-30(19(32)17(13)10-16)12-22(20(33)27-21(34)28-22)14-3-5-15(6-4-14)31-9-8-18(29-31)23(24,25)26;28-18-5-6-19-16(11-18)12-27(20(19)29)13-23(21(30)25-22(31)26-23)17-3-1-14(2-4-17)15-7-9-24-10-8-15;1-31-17-8-3-14-12-26(19(28)18(14)11-17)13-22(20(29)24-21(30)25-22)15-4-6-16(7-5-15)27-10-2-9-23-27/h2-12H,13-14H2,1H3,(H2,26,27,30,31);2-10H,11-12H2,1H3,(H2,27,28,33,34);1-11,28H,12-13H2,(H2,25,26,30,31);2-11H,12-13H2,1H3,(H2,24,25,29,30)/t24-;22-;23-;22-/m0000/s1
• InChIKey: IKPUBXJQTIHDSV-ZCLYOAGDSA-N
• XLogP: 8.75
• TPSA: 423.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1745.72
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazol-1-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazol-1-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione (CID 158726926) is (5R)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazol-1-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazol-1-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazol-1-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-n4ccc(C(F)(F)F)n4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-n4cccn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)CN(C[C@@]1(c3ccc(-c4ccncc4)cc3)NC(=O)NC1=O)C2=O.O=C1NC(=O)[C@](CN2Cc3cc(O)ccc3C2=O)(c2ccc(-c3ccncc3)cc2)N1.

What is the InChIKey of (5R)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazol-1-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione?

The InChIKey is IKPUBXJQTIHDSV-ZCLYOAGDSA-N. The full InChI is InChI=1S/C24H20N4O4.C23H18F3N5O4.C23H18N4O4.C22H19N5O4/c1-32-19-6-7-20-17(12-19)13-28(21(20)29)14-24(22(30)26-23(31)27-24)18-4-2-15(3-5-18)16-8-10-25-11-9-16;1-35-16-7-2-13-11-30(19(32)17(13)10-16)12-22(20(33)27-21(34)28-22)14-3-5-15(6-4-14)31-9-8-18(29-31)23(24,25)26;28-18-5-6-19-16(11-18)12-27(20(19)29)13-23(21(30)25-22(31)26-23)17-3-1-14(2-4-17)15-7-9-24-10-8-15;1-31-17-8-3-14-12-26(19(28)18(14)11-17)13-22(20(29)24-21(30)25-22)15-4-6-16(7-5-15)27-10-2-9-23-27/h2-12H,13-14H2,1H3,(H2,26,27,30,31);2-10H,11-12H2,1H3,(H2,27,28,33,34);1-11,28H,12-13H2,(H2,25,26,30,31);2-11H,12-13H2,1H3,(H2,24,25,29,30)/t24-;22-;23-;22-/m0000/s1.

What are the key properties of (5R)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazol-1-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione?

(5R)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazol-1-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione has a molecular weight of 1745.72 g/mol, XLogP of 8.75, 19 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazol-1-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158726926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).