(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]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-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinoxalin-2-ylphenyl)imidazolidine-2,4-dione

C108H91N17O16 — CID 157372035

About (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]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-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinoxalin-2-ylphenyl)imidazolidine-2,4-dione

(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]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-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinoxalin-2-ylphenyl)imidazolidine-2,4-dione (PubChem CID 157372035) has the molecular formula C108H91N17O16 and a molecular weight of 1883.02 g/mol. Its IUPAC name is (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]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-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinoxalin-2-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]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-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinoxalin-2-ylphenyl)imidazolidine-2,4-dione
• PubChem CID: 157372035
• Molecular Formula: C108H91N17O16
• Molecular Weight: 1883.02 g/mol
• Exact Mass: 1881.68
• IUPAC Name: (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]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-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinoxalin-2-ylphenyl)imidazolidine-2,4-dione
• SMILES: CC#CCOc1ccc2c(c1)C(=O)N(C[C@]1(c3ccc(-c4cc(C)ccn4)cc3)C(=O)NC(=O)N1CC#CC)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnc5ccccc5n4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ncccc4C)cc3)NC(=O)NC1=O)C2.Cc1ccc(-c2ccc([C@@]3(CN4Cc5ccc(O)cc5C4=O)NC(=O)NC3=O)cc2)nc1
• InChI: InChI=1S/C32H28N4O4.C27H21N5O4.C25H22N4O4.C24H20N4O4/c1-4-6-16-36-31(39)34-30(38)32(36,25-11-8-23(9-12-25)28-18-22(3)14-15-33-28)21-35-20-24-10-13-26(40-17-7-5-2)19-27(24)29(35)37;1-36-19-11-8-17-14-32(24(33)20(17)12-19)15-27(25(34)30-26(35)31-27)18-9-6-16(7-10-18)23-13-28-21-4-2-3-5-22(21)29-23;1-15-4-3-11-26-21(15)16-5-8-18(9-6-16)25(23(31)27-24(32)28-25)14-29-13-17-7-10-19(33-2)12-20(17)22(29)30;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/h8-15,18-19H,16-17,20-21H2,1-3H3,(H,34,38,39);2-13H,14-15H2,1H3,(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)/t32-;27-;25-;24-/m0001/s1
• InChIKey: BJWNAVUDMNZITO-KSULLXDFSA-N
• XLogP: 12.09
• TPSA: 417.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1883.02
LogP ≤ 5	12.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

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-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]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-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinoxalin-2-ylphenyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]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-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinoxalin-2-ylphenyl)imidazolidine-2,4-dione (CID 157372035) is (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]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-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinoxalin-2-ylphenyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]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-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinoxalin-2-ylphenyl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]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-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinoxalin-2-ylphenyl)imidazolidine-2,4-dione is CC#CCOc1ccc2c(c1)C(=O)N(C[C@]1(c3ccc(-c4cc(C)ccn4)cc3)C(=O)NC(=O)N1CC#CC)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnc5ccccc5n4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ncccc4C)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-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]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-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinoxalin-2-ylphenyl)imidazolidine-2,4-dione?

The InChIKey is BJWNAVUDMNZITO-KSULLXDFSA-N. The full InChI is InChI=1S/C32H28N4O4.C27H21N5O4.C25H22N4O4.C24H20N4O4/c1-4-6-16-36-31(39)34-30(38)32(36,25-11-8-23(9-12-25)28-18-22(3)14-15-33-28)21-35-20-24-10-13-26(40-17-7-5-2)19-27(24)29(35)37;1-36-19-11-8-17-14-32(24(33)20(17)12-19)15-27(25(34)30-26(35)31-27)18-9-6-16(7-10-18)23-13-28-21-4-2-3-5-22(21)29-23;1-15-4-3-11-26-21(15)16-5-8-18(9-6-16)25(23(31)27-24(32)28-25)14-29-13-17-7-10-19(33-2)12-20(17)22(29)30;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/h8-15,18-19H,16-17,20-21H2,1-3H3,(H,34,38,39);2-13H,14-15H2,1H3,(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)/t32-;27-;25-;24-/m0001/s1.

What are the key properties of (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]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-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinoxalin-2-ylphenyl)imidazolidine-2,4-dione?

(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]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-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinoxalin-2-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 1883.02 g/mol, XLogP of 12.09, 21 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]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-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinoxalin-2-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 157372035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).