4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile

C21H14N4O — CID 118645890

IUPAC4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)nc(C=O)c3nccn23)cc1
InChIInChI=1S/C21H14N4O/c1-14-2-6-17(7-3-14)20-19(16-8-4-15(12-22)5-9-16)24-18(13-26)21-23-10-11-25(20)21/h2-11,13H,1H3
InChIKeyHQMNZQQLAQDMIM-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.06
Rot. Bonds3

About 4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile

4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile (PubChem CID 118645890) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
PubChem CID118645890
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)nc(C=O)c3nccn23)cc1
InChIInChI=1S/C21H14N4O/c1-14-2-6-17(7-3-14)20-19(16-8-4-15(12-22)5-9-16)24-18(13-26)21-23-10-11-25(20)21/h2-11,13H,1H3
InChIKeyHQMNZQQLAQDMIM-UHFFFAOYSA-N
XLogP4.06
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The IUPAC name of 4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile (CID 118645890) is 4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile.
What is the SMILES notation for 4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The canonical SMILES for 4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile is Cc1ccc(-c2c(-c3ccc(C#N)cc3)nc(C=O)c3nccn23)cc1.
What is the InChIKey of 4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The InChIKey is HQMNZQQLAQDMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c1-14-2-6-17(7-3-14)20-19(16-8-4-15(12-22)5-9-16)24-18(13-26)21-23-10-11-25(20)21/h2-11,13H,1H3.
What are the key properties of 4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile has a molecular weight of 338.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile is sourced from PubChem (CID 118645890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).