3-[2-[7-(2,5-dimethylfuran-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethynyl]benzonitrile

C22H18N4O2 — CID 139347476

About 3-[2-[7-(2,5-dimethylfuran-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethynyl]benzonitrile

3-[2-[7-(2,5-dimethylfuran-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethynyl]benzonitrile (PubChem CID 139347476) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-[2-[7-(2,5-dimethylfuran-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethynyl]benzonitrile.

Molecular Properties

• Compound Name: 3-[2-[7-(2,5-dimethylfuran-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethynyl]benzonitrile
• PubChem CID: 139347476
• Molecular Formula: C22H18N4O2
• Molecular Weight: 370.41 g/mol
• Exact Mass: 370.14
• IUPAC Name: 3-[2-[7-(2,5-dimethylfuran-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethynyl]benzonitrile
• SMILES: Cc1cc(C(=O)N2CCn3c(C#Cc4cccc(C#N)c4)cnc3C2)c(C)o1
• InChI: InChI=1S/C22H18N4O2/c1-15-10-20(16(2)28-15)22(27)25-8-9-26-19(13-24-21(26)14-25)7-6-17-4-3-5-18(11-17)12-23/h3-5,10-11,13H,8-9,14H2,1-2H3
• InChIKey: CHQLQAFGMJBACX-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 75.06 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.41
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[7-(2,5-dimethylfuran-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethynyl]benzonitrile?

The IUPAC name of 3-[2-[7-(2,5-dimethylfuran-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethynyl]benzonitrile (CID 139347476) is 3-[2-[7-(2,5-dimethylfuran-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethynyl]benzonitrile.

What is the SMILES notation for 3-[2-[7-(2,5-dimethylfuran-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethynyl]benzonitrile?

The canonical SMILES for 3-[2-[7-(2,5-dimethylfuran-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethynyl]benzonitrile is Cc1cc(C(=O)N2CCn3c(C#Cc4cccc(C#N)c4)cnc3C2)c(C)o1.

What is the InChIKey of 3-[2-[7-(2,5-dimethylfuran-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethynyl]benzonitrile?

The InChIKey is CHQLQAFGMJBACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-15-10-20(16(2)28-15)22(27)25-8-9-26-19(13-24-21(26)14-25)7-6-17-4-3-5-18(11-17)12-23/h3-5,10-11,13H,8-9,14H2,1-2H3.

What are the key properties of 3-[2-[7-(2,5-dimethylfuran-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethynyl]benzonitrile?

3-[2-[7-(2,5-dimethylfuran-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethynyl]benzonitrile has a molecular weight of 370.41 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[7-(2,5-dimethylfuran-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethynyl]benzonitrile is sourced from PubChem (CID 139347476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).