(5R)-5-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylbenzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-6-ylethynyl)imidazolidine-2,4-dione

C116H93F6N19O22S — CID 158622981

About (5R)-5-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylbenzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-6-ylethynyl)imidazolidine-2,4-dione

(5R)-5-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylbenzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-6-ylethynyl)imidazolidine-2,4-dione (PubChem CID 158622981) has the molecular formula C116H93F6N19O22S and a molecular weight of 2251.19 g/mol. Its IUPAC name is (5R)-5-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylbenzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-6-ylethynyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylbenzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-6-ylethynyl)imidazolidine-2,4-dione
• PubChem CID: 158622981
• Molecular Formula: C116H93F6N19O22S
• Molecular Weight: 2251.19 g/mol
• Exact Mass: 2249.64
• IUPAC Name: (5R)-5-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylbenzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-6-ylethynyl)imidazolidine-2,4-dione
• SMILES: CNS(=O)(=O)c1ccc(C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)cc1.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4ncccc4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccc(C(C)C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc4ncccc4c3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C24H18N4O4.C24H23N3O4.C23H15F6N3O4.C23H17N5O4.C22H20N4O6S/c1-32-18-6-5-17-13-28(21(29)19(17)12-18)14-24(22(30)26-23(31)27-24)9-8-15-4-7-20-16(11-15)3-2-10-25-20;1-15(2)17-6-4-5-16(11-17)9-10-24(22(29)25-23(30)26-24)14-27-13-18-7-8-19(31-3)12-20(18)21(27)28;1-36-16-3-2-13-10-32(18(33)17(13)9-16)11-21(19(34)30-20(35)31-21)5-4-12-6-14(22(24,25)26)8-15(7-12)23(27,28)29;1-32-17-5-4-16-12-28(20(29)18(16)10-17)13-23(21(30)26-22(31)27-23)7-6-14-9-15-3-2-8-24-19(15)25-11-14;1-23-33(30,31)17-7-3-14(4-8-17)9-10-22(20(28)24-21(29)25-22)13-26-12-15-5-6-16(32-2)11-18(15)19(26)27/h2-7,10-12H,13-14H2,1H3,(H2,26,27,30,31);4-8,11-12,15H,13-14H2,1-3H3,(H2,25,26,29,30);2-3,6-9H,10-11H2,1H3,(H2,30,31,34,35);2-5,8-11H,12-13H2,1H3,(H2,26,27,30,31);3-8,11,23H,12-13H2,1-2H3,(H2,24,25,28,29)/t2*24-;21-;23-;22-/m11111/s1
• InChIKey: HYFSSQXBMASMDK-KZJAZOLBSA-N
• XLogP: 8.97
• TPSA: 523.54 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2251.19
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylbenzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-6-ylethynyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylbenzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-6-ylethynyl)imidazolidine-2,4-dione (CID 158622981) is (5R)-5-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylbenzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-6-ylethynyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylbenzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-6-ylethynyl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylbenzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-6-ylethynyl)imidazolidine-2,4-dione is CNS(=O)(=O)c1ccc(C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)cc1.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4ncccc4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccc(C(C)C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc4ncccc4c3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylbenzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-6-ylethynyl)imidazolidine-2,4-dione?

The InChIKey is HYFSSQXBMASMDK-KZJAZOLBSA-N. The full InChI is InChI=1S/C24H18N4O4.C24H23N3O4.C23H15F6N3O4.C23H17N5O4.C22H20N4O6S/c1-32-18-6-5-17-13-28(21(29)19(17)12-18)14-24(22(30)26-23(31)27-24)9-8-15-4-7-20-16(11-15)3-2-10-25-20;1-15(2)17-6-4-5-16(11-17)9-10-24(22(29)25-23(30)26-24)14-27-13-18-7-8-19(31-3)12-20(18)21(27)28;1-36-16-3-2-13-10-32(18(33)17(13)9-16)11-21(19(34)30-20(35)31-21)5-4-12-6-14(22(24,25)26)8-15(7-12)23(27,28)29;1-32-17-5-4-16-12-28(20(29)18(16)10-17)13-23(21(30)26-22(31)27-23)7-6-14-9-15-3-2-8-24-19(15)25-11-14;1-23-33(30,31)17-7-3-14(4-8-17)9-10-22(20(28)24-21(29)25-22)13-26-12-15-5-6-16(32-2)11-18(15)19(26)27/h2-7,10-12H,13-14H2,1H3,(H2,26,27,30,31);4-8,11-12,15H,13-14H2,1-3H3,(H2,25,26,29,30);2-3,6-9H,10-11H2,1H3,(H2,30,31,34,35);2-5,8-11H,12-13H2,1H3,(H2,26,27,30,31);3-8,11,23H,12-13H2,1-2H3,(H2,24,25,28,29)/t2*24-;21-;23-;22-/m11111/s1.

What are the key properties of (5R)-5-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylbenzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-6-ylethynyl)imidazolidine-2,4-dione?

(5R)-5-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylbenzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-6-ylethynyl)imidazolidine-2,4-dione has a molecular weight of 2251.19 g/mol, XLogP of 8.97, 18 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylbenzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-6-ylethynyl)imidazolidine-2,4-dione is sourced from PubChem (CID 158622981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).