6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid

C21H14N4O2 — CID 118645877

IUPAC6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)nc(C(=O)O)c3nccn23)cc1
InChIInChI=1S/C21H14N4O2/c1-13-2-6-16(7-3-13)19-17(15-8-4-14(12-22)5-9-15)24-18(21(26)27)20-23-10-11-25(19)20/h2-11H,1H3,(H,26,27)
InChIKeyDXFDAZBCMHSXTL-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.94
Rot. Bonds3

About 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid

6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid (PubChem CID 118645877) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid.

Molecular Properties

Compound Name6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
PubChem CID118645877
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC Name6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)nc(C(=O)O)c3nccn23)cc1
InChIInChI=1S/C21H14N4O2/c1-13-2-6-16(7-3-13)19-17(15-8-4-14(12-22)5-9-15)24-18(21(26)27)20-23-10-11-25(19)20/h2-11H,1H3,(H,26,27)
InChIKeyDXFDAZBCMHSXTL-UHFFFAOYSA-N
XLogP3.94
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid?
The IUPAC name of 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid (CID 118645877) is 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid.
What is the SMILES notation for 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid?
The canonical SMILES for 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid is Cc1ccc(-c2c(-c3ccc(C#N)cc3)nc(C(=O)O)c3nccn23)cc1.
What is the InChIKey of 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid?
The InChIKey is DXFDAZBCMHSXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c1-13-2-6-16(7-3-13)19-17(15-8-4-14(12-22)5-9-15)24-18(21(26)27)20-23-10-11-25(19)20/h2-11H,1H3,(H,26,27).
What are the key properties of 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid?
6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid has a molecular weight of 354.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid is sourced from PubChem (CID 118645877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).