5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-5-methylimidazolidine-2,4-dione

C24H20N6O6 — CID 58041943

About 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-5-methylimidazolidine-2,4-dione

5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-5-methylimidazolidine-2,4-dione (PubChem CID 58041943) has the molecular formula C24H20N6O6 and a molecular weight of 488.46 g/mol. Its IUPAC name is 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 58041943
• Molecular Formula: C24H20N6O6
• Molecular Weight: 488.46 g/mol
• Exact Mass: 488.14
• IUPAC Name: 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-5-methylimidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C4(C)NC(=O)NC4=O)nc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C24H20N6O6/c1-23(19(32)26-21(34)28-23)17-6-3-13(10-25-17)7-8-24(20(33)27-22(35)29-24)12-30-11-14-4-5-15(36-2)9-16(14)18(30)31/h3-6,9-10H,11-12H2,1-2H3,(H2,26,28,32,34)(H2,27,29,33,35)/t23?,24-/m1/s1
• InChIKey: VMUSYVTUICEWGF-XMMISQBUSA-N
• XLogP: -0.27
• TPSA: 158.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.46
LogP ≤ 5	-0.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

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-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-5-methylimidazolidine-2,4-dione (CID 58041943) is 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-5-methylimidazolidine-2,4-dione.

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

The canonical SMILES for 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-5-methylimidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C4(C)NC(=O)NC4=O)nc3)NC(=O)NC1=O)C2.

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

The InChIKey is VMUSYVTUICEWGF-XMMISQBUSA-N. The full InChI is InChI=1S/C24H20N6O6/c1-23(19(32)26-21(34)28-23)17-6-3-13(10-25-17)7-8-24(20(33)27-22(35)29-24)12-30-11-14-4-5-15(36-2)9-16(14)18(30)31/h3-6,9-10H,11-12H2,1-2H3,(H2,26,28,32,34)(H2,27,29,33,35)/t23?,24-/m1/s1.

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

5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 488.46 g/mol, XLogP of -0.27, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 58041943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).