(5R)-5-[4-(3-chloropyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methoxy-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione

C97H79ClF3N17O17 — CID 158808286

About (5R)-5-[4-(3-chloropyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methoxy-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione

(5R)-5-[4-(3-chloropyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methoxy-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione (PubChem CID 158808286) has the molecular formula C97H79ClF3N17O17 and a molecular weight of 1847.25 g/mol. Its IUPAC name is (5R)-5-[4-(3-chloropyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methoxy-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[4-(3-chloropyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methoxy-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione
• PubChem CID: 158808286
• Molecular Formula: C97H79ClF3N17O17
• Molecular Weight: 1847.25 g/mol
• Exact Mass: 1845.55
• IUPAC Name: (5R)-5-[4-(3-chloropyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methoxy-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ncccc4C(F)(F)F)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ncccc4OC)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nccnc4Cl)cc3)NC(=O)NC1=O)C2.Cc1ccc(-c2ccc([C@@]3(CN4Cc5ccc(O)cc5C4=O)NC(=O)NC3=O)cc2)nc1
• InChI: InChI=1S/C25H19F3N4O4.C25H22N4O5.C24H20N4O4.C23H18ClN5O4/c1-36-17-9-6-15-12-32(21(33)18(15)11-17)13-24(22(34)30-23(35)31-24)16-7-4-14(5-8-16)20-19(25(26,27)28)3-2-10-29-20;1-33-18-10-7-16-13-29(22(30)19(16)12-18)14-25(23(31)27-24(32)28-25)17-8-5-15(6-9-17)21-20(34-2)4-3-11-26-21;1-14-2-9-20(25-11-14)15-3-6-17(7-4-15)24(22(31)26-23(32)27-24)13-28-12-16-5-8-18(29)10-19(16)21(28)30;1-33-16-7-4-14-11-29(20(30)17(14)10-16)12-23(21(31)27-22(32)28-23)15-5-2-13(3-6-15)18-19(24)26-9-8-25-18/h2-11H,12-13H2,1H3,(H2,30,31,34,35);3-12H,13-14H2,1-2H3,(H2,27,28,31,32);2-11,29H,12-13H2,1H3,(H2,26,27,31,32);2-10H,11-12H2,1H3,(H2,27,28,31,32)/t24-;25-;24-;23-/m0010/s1
• InChIKey: IUIYNNRMFFTIGQ-ANJGCPJFSA-N
• XLogP: 10.87
• TPSA: 435.64 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1847.25
LogP ≤ 5	10.87
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-[4-(3-chloropyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methoxy-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[4-(3-chloropyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methoxy-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione (CID 158808286) is (5R)-5-[4-(3-chloropyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methoxy-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione.

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

The canonical SMILES for (5R)-5-[4-(3-chloropyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methoxy-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ncccc4C(F)(F)F)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ncccc4OC)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nccnc4Cl)cc3)NC(=O)NC1=O)C2.Cc1ccc(-c2ccc([C@@]3(CN4Cc5ccc(O)cc5C4=O)NC(=O)NC3=O)cc2)nc1.

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

The InChIKey is IUIYNNRMFFTIGQ-ANJGCPJFSA-N. The full InChI is InChI=1S/C25H19F3N4O4.C25H22N4O5.C24H20N4O4.C23H18ClN5O4/c1-36-17-9-6-15-12-32(21(33)18(15)11-17)13-24(22(34)30-23(35)31-24)16-7-4-14(5-8-16)20-19(25(26,27)28)3-2-10-29-20;1-33-18-10-7-16-13-29(22(30)19(16)12-18)14-25(23(31)27-24(32)28-25)17-8-5-15(6-9-17)21-20(34-2)4-3-11-26-21;1-14-2-9-20(25-11-14)15-3-6-17(7-4-15)24(22(31)26-23(32)27-24)13-28-12-16-5-8-18(29)10-19(16)21(28)30;1-33-16-7-4-14-11-29(20(30)17(14)10-16)12-23(21(31)27-22(32)28-23)15-5-2-13(3-6-15)18-19(24)26-9-8-25-18/h2-11H,12-13H2,1H3,(H2,30,31,34,35);3-12H,13-14H2,1-2H3,(H2,27,28,31,32);2-11,29H,12-13H2,1H3,(H2,26,27,31,32);2-10H,11-12H2,1H3,(H2,27,28,31,32)/t24-;25-;24-;23-/m0010/s1.

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

(5R)-5-[4-(3-chloropyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methoxy-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 1847.25 g/mol, XLogP of 10.87, 20 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[4-(3-chloropyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methoxy-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158808286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).