5-[2-[6-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C25H23N5O7 — CID 77399595

About 5-[2-[6-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

5-[2-[6-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 77399595) has the molecular formula C25H23N5O7 and a molecular weight of 505.49 g/mol. Its IUPAC name is 5-[2-[6-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[2-[6-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 77399595
• Molecular Formula: C25H23N5O7
• Molecular Weight: 505.49 g/mol
• Exact Mass: 505.16
• IUPAC Name: 5-[2-[6-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(CC1(C#Cc3nc(N4CC(O)CC4=O)ccc3OC)NC(=O)NC1=O)C2
• InChI: InChI=1S/C25H23N5O7/c1-36-16-4-3-14-11-29(22(33)17(14)10-16)13-25(23(34)27-24(35)28-25)8-7-18-19(37-2)5-6-20(26-18)30-12-15(31)9-21(30)32/h3-6,10,15,31H,9,11-13H2,1-2H3,(H2,27,28,34,35)
• InChIKey: RRQAZVHTWDKNLU-UHFFFAOYSA-N
• XLogP: -0.22
• TPSA: 150.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.49
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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-[2-[6-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-[2-[6-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 77399595) is 5-[2-[6-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[2-[6-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[2-[6-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(C#Cc3nc(N4CC(O)CC4=O)ccc3OC)NC(=O)NC1=O)C2.

What is the InChIKey of 5-[2-[6-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is RRQAZVHTWDKNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O7/c1-36-16-4-3-14-11-29(22(33)17(14)10-16)13-25(23(34)27-24(35)28-25)8-7-18-19(37-2)5-6-20(26-18)30-12-15(31)9-21(30)32/h3-6,10,15,31H,9,11-13H2,1-2H3,(H2,27,28,34,35).

What are the key properties of 5-[2-[6-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

5-[2-[6-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 505.49 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[6-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 77399595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).