(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;5-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxy-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione

C99H81F3N18O17 — CID 158023611

About (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;5-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxy-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione

(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;5-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxy-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione (PubChem CID 158023611) has the molecular formula C99H81F3N18O17 and a molecular weight of 1851.84 g/mol. Its IUPAC name is (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;5-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxy-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;5-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxy-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione
• PubChem CID: 158023611
• Molecular Formula: C99H81F3N18O17
• Molecular Weight: 1851.84 g/mol
• Exact Mass: 1850.60
• IUPAC Name: (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;5-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxy-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione
• SMILES: CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnccn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(C(F)(F)F)cn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cncc(C#N)c4)cc3)NC(=O)NC1=O)C2.COc1cncc(-c2ccc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2)c1
• InChI: InChI=1S/C25H19F3N4O4.C25H19N5O4.C25H22N4O5.C24H21N5O4/c1-36-18-8-4-15-12-32(21(33)19(15)10-18)13-24(22(34)30-23(35)31-24)16-5-2-14(3-6-16)20-9-7-17(11-29-20)25(26,27)28;1-34-20-7-4-17-13-30(22(31)21(17)9-20)14-25(23(32)28-24(33)29-25)19-5-2-16(3-6-19)18-8-15(10-26)11-27-12-18;1-33-19-8-5-16-13-29(22(30)21(16)10-19)14-25(23(31)27-24(32)28-25)18-6-3-15(4-7-18)17-9-20(34-2)12-26-11-17;1-2-33-18-8-5-16-13-29(21(30)19(16)11-18)14-24(22(31)27-23(32)28-24)17-6-3-15(4-7-17)20-12-25-9-10-26-20/h2-11H,12-13H2,1H3,(H2,30,31,34,35);2-9,11-12H,13-14H2,1H3,(H2,28,29,32,33);3-12H,13-14H2,1-2H3,(H2,27,28,31,32);3-12H,2,13-14H2,1H3,(H2,27,28,31,32)/t24-;2*25-;24-/m0000/s1
• InChIKey: FGISXKHPCGPIHM-GONOSRMYSA-N
• XLogP: 10.48
• TPSA: 448.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1851.84
LogP ≤ 5	10.48
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;5-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxy-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;5-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxy-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione (CID 158023611) is (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;5-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxy-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;5-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxy-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;5-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxy-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione is CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnccn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(C(F)(F)F)cn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cncc(C#N)c4)cc3)NC(=O)NC1=O)C2.COc1cncc(-c2ccc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2)c1.

What is the InChIKey of (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;5-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxy-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione?

The InChIKey is FGISXKHPCGPIHM-GONOSRMYSA-N. The full InChI is InChI=1S/C25H19F3N4O4.C25H19N5O4.C25H22N4O5.C24H21N5O4/c1-36-18-8-4-15-12-32(21(33)19(15)10-18)13-24(22(34)30-23(35)31-24)16-5-2-14(3-6-16)20-9-7-17(11-29-20)25(26,27)28;1-34-20-7-4-17-13-30(22(31)21(17)9-20)14-25(23(32)28-24(33)29-25)19-5-2-16(3-6-19)18-8-15(10-26)11-27-12-18;1-33-19-8-5-16-13-29(22(30)21(16)10-19)14-25(23(31)27-24(32)28-25)18-6-3-15(4-7-18)17-9-20(34-2)12-26-11-17;1-2-33-18-8-5-16-13-29(21(30)19(16)11-18)14-24(22(31)27-23(32)28-24)17-6-3-15(4-7-17)20-12-25-9-10-26-20/h2-11H,12-13H2,1H3,(H2,30,31,34,35);2-9,11-12H,13-14H2,1H3,(H2,28,29,32,33);3-12H,13-14H2,1-2H3,(H2,27,28,31,32);3-12H,2,13-14H2,1H3,(H2,27,28,31,32)/t24-;2*25-;24-/m0000/s1.

What are the key properties of (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;5-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxy-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione?

(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;5-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxy-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 1851.84 g/mol, XLogP of 10.48, 22 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;5-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxy-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158023611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).