6-(2,5-dimethylfuran-3-yl)-2-(3-hydroxyazetidine-1-carbonyl)-7-(3-methylbut-2-enyl)imidazo[1,2-a]pyrazin-8-one

C21H24N4O4 — CID 70721215

About 6-(2,5-dimethylfuran-3-yl)-2-(3-hydroxyazetidine-1-carbonyl)-7-(3-methylbut-2-enyl)imidazo[1,2-a]pyrazin-8-one

6-(2,5-dimethylfuran-3-yl)-2-(3-hydroxyazetidine-1-carbonyl)-7-(3-methylbut-2-enyl)imidazo[1,2-a]pyrazin-8-one (PubChem CID 70721215) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-2-(3-hydroxyazetidine-1-carbonyl)-7-(3-methylbut-2-enyl)imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

• Compound Name: 6-(2,5-dimethylfuran-3-yl)-2-(3-hydroxyazetidine-1-carbonyl)-7-(3-methylbut-2-enyl)imidazo[1,2-a]pyrazin-8-one
• PubChem CID: 70721215
• Molecular Formula: C21H24N4O4
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.18
• IUPAC Name: 6-(2,5-dimethylfuran-3-yl)-2-(3-hydroxyazetidine-1-carbonyl)-7-(3-methylbut-2-enyl)imidazo[1,2-a]pyrazin-8-one
• SMILES: CC(C)=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)N3CC(O)C3)nc2c1=O
• InChI: InChI=1S/C21H24N4O4/c1-12(2)5-6-25-18(16-7-13(3)29-14(16)4)11-23-10-17(22-19(23)21(25)28)20(27)24-8-15(26)9-24/h5,7,10-11,15,26H,6,8-9H2,1-4H3
• InChIKey: KZIOOJUPTXUFLI-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 92.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-2-(3-hydroxyazetidine-1-carbonyl)-7-(3-methylbut-2-enyl)imidazo[1,2-a]pyrazin-8-one?

The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-2-(3-hydroxyazetidine-1-carbonyl)-7-(3-methylbut-2-enyl)imidazo[1,2-a]pyrazin-8-one (CID 70721215) is 6-(2,5-dimethylfuran-3-yl)-2-(3-hydroxyazetidine-1-carbonyl)-7-(3-methylbut-2-enyl)imidazo[1,2-a]pyrazin-8-one.

What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-2-(3-hydroxyazetidine-1-carbonyl)-7-(3-methylbut-2-enyl)imidazo[1,2-a]pyrazin-8-one?

The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-2-(3-hydroxyazetidine-1-carbonyl)-7-(3-methylbut-2-enyl)imidazo[1,2-a]pyrazin-8-one is CC(C)=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)N3CC(O)C3)nc2c1=O.

What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-2-(3-hydroxyazetidine-1-carbonyl)-7-(3-methylbut-2-enyl)imidazo[1,2-a]pyrazin-8-one?

The InChIKey is KZIOOJUPTXUFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-12(2)5-6-25-18(16-7-13(3)29-14(16)4)11-23-10-17(22-19(23)21(25)28)20(27)24-8-15(26)9-24/h5,7,10-11,15,26H,6,8-9H2,1-4H3.

What are the key properties of 6-(2,5-dimethylfuran-3-yl)-2-(3-hydroxyazetidine-1-carbonyl)-7-(3-methylbut-2-enyl)imidazo[1,2-a]pyrazin-8-one?

6-(2,5-dimethylfuran-3-yl)-2-(3-hydroxyazetidine-1-carbonyl)-7-(3-methylbut-2-enyl)imidazo[1,2-a]pyrazin-8-one has a molecular weight of 396.45 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dimethylfuran-3-yl)-2-(3-hydroxyazetidine-1-carbonyl)-7-(3-methylbut-2-enyl)imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 70721215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).