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

C25H23N7O6 — CID 76670885

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

5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 76670885) has the molecular formula C25H23N7O6 and a molecular weight of 517.50 g/mol. Its IUPAC name is 5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-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-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 76670885
• Molecular Formula: C25H23N7O6
• Molecular Weight: 517.50 g/mol
• Exact Mass: 517.17
• IUPAC Name: 5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: CCNc1nnc(-c2ccc(OC)c(C#CC3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)n2)o1
• InChI: InChI=1S/C25H23N7O6/c1-4-26-24-31-30-20(38-24)18-7-8-19(37-3)17(27-18)9-10-25(22(34)28-23(35)29-25)13-32-12-14-5-6-15(36-2)11-16(14)21(32)33/h5-8,11H,4,12-13H2,1-3H3,(H,26,31)(H2,28,29,34,35)
• InChIKey: ZBHVIEDBNRUBOM-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 160.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.50
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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-[5-(ethylamino)-1,3,4-oxadiazol-2-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-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 76670885) is 5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-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-[5-(ethylamino)-1,3,4-oxadiazol-2-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-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is CCNc1nnc(-c2ccc(OC)c(C#CC3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)n2)o1.

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

The InChIKey is ZBHVIEDBNRUBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O6/c1-4-26-24-31-30-20(38-24)18-7-8-19(37-3)17(27-18)9-10-25(22(34)28-23(35)29-25)13-32-12-14-5-6-15(36-2)11-16(14)21(32)33/h5-8,11H,4,12-13H2,1-3H3,(H,26,31)(H2,28,29,34,35).

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

5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-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 517.50 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-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 76670885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).