5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-3-ylpyrimidin-5-yl)ethynyl]imidazolidine-2,4-dione

C97H76N22O19 — CID 159135003

About 5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-3-ylpyrimidin-5-yl)ethynyl]imidazolidine-2,4-dione

5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-3-ylpyrimidin-5-yl)ethynyl]imidazolidine-2,4-dione (PubChem CID 159135003) has the molecular formula C97H76N22O19 and a molecular weight of 1853.81 g/mol. Its IUPAC name is 5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-3-ylpyrimidin-5-yl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-3-ylpyrimidin-5-yl)ethynyl]imidazolidine-2,4-dione
• PubChem CID: 159135003
• Molecular Formula: C97H76N22O19
• Molecular Weight: 1853.81 g/mol
• Exact Mass: 1852.57
• IUPAC Name: 5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-3-ylpyrimidin-5-yl)ethynyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cccnc4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nnc(C)o4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C4(C)NC(=O)NC4=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc(-c4cccnc4)nc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C25H21N5O6.C25H19N5O4.C24H18N6O4.C23H18N6O5/c1-24(20(32)26-22(34)28-24)16-6-3-14(4-7-16)9-10-25(21(33)27-23(35)29-25)13-30-12-15-5-8-17(36-2)11-18(15)19(30)31;1-34-19-6-5-18-14-30(22(31)20(18)11-19)15-25(23(32)28-24(33)29-25)9-8-16-4-7-21(27-12-16)17-3-2-10-26-13-17;1-34-18-5-4-17-13-30(21(31)19(17)9-18)14-24(22(32)28-23(33)29-24)7-6-15-10-26-20(27-11-15)16-3-2-8-25-12-16;1-13-27-28-19(34-13)18-6-3-14(10-24-18)7-8-23(21(31)25-22(32)26-23)12-29-11-15-4-5-16(33-2)9-17(15)20(29)30/h3-8,11H,12-13H2,1-2H3,(H2,26,28,32,34)(H2,27,29,33,35);2-7,10-13H,14-15H2,1H3,(H2,28,29,32,33);2-5,8-12H,13-14H2,1H3,(H2,28,29,32,33);3-6,9-10H,11-12H2,1-2H3,(H2,25,26,31,32)/t24?,25-;25-;24-;23-/m1111/s1
• InChIKey: KHJMMHYZHBOWJT-ABEYYDRFSA-N
• XLogP: 4.24
• TPSA: 525.42 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1853.81
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

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 5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-3-ylpyrimidin-5-yl)ethynyl]imidazolidine-2,4-dione?

The IUPAC name of 5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-3-ylpyrimidin-5-yl)ethynyl]imidazolidine-2,4-dione (CID 159135003) is 5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-3-ylpyrimidin-5-yl)ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-3-ylpyrimidin-5-yl)ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-3-ylpyrimidin-5-yl)ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cccnc4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nnc(C)o4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C4(C)NC(=O)NC4=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc(-c4cccnc4)nc3)NC(=O)NC1=O)C2.

What is the InChIKey of 5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-3-ylpyrimidin-5-yl)ethynyl]imidazolidine-2,4-dione?

The InChIKey is KHJMMHYZHBOWJT-ABEYYDRFSA-N. The full InChI is InChI=1S/C25H21N5O6.C25H19N5O4.C24H18N6O4.C23H18N6O5/c1-24(20(32)26-22(34)28-24)16-6-3-14(4-7-16)9-10-25(21(33)27-23(35)29-25)13-30-12-15-5-8-17(36-2)11-18(15)19(30)31;1-34-19-6-5-18-14-30(22(31)20(18)11-19)15-25(23(32)28-24(33)29-25)9-8-16-4-7-21(27-12-16)17-3-2-10-26-13-17;1-34-18-5-4-17-13-30(21(31)19(17)9-18)14-24(22(32)28-23(33)29-24)7-6-15-10-26-20(27-11-15)16-3-2-8-25-12-16;1-13-27-28-19(34-13)18-6-3-14(10-24-18)7-8-23(21(31)25-22(32)26-23)12-29-11-15-4-5-16(33-2)9-17(15)20(29)30/h3-8,11H,12-13H2,1-2H3,(H2,26,28,32,34)(H2,27,29,33,35);2-7,10-13H,14-15H2,1H3,(H2,28,29,32,33);2-5,8-12H,13-14H2,1H3,(H2,28,29,32,33);3-6,9-10H,11-12H2,1-2H3,(H2,25,26,31,32)/t24?,25-;25-;24-;23-/m1111/s1.

What are the key properties of 5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-3-ylpyrimidin-5-yl)ethynyl]imidazolidine-2,4-dione?

5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-3-ylpyrimidin-5-yl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 1853.81 g/mol, XLogP of 4.24, 16 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-3-ylpyrimidin-5-yl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159135003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).