4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid

C21H18N4O3 — CID 53208276

IUPAC4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid
SMILESCCOc1ccc(Nc2c(-c3ccc(C(=O)O)cc3)nc3cnccn23)cc1
InChIInChI=1S/C21H18N4O3/c1-2-28-17-9-7-16(8-10-17)23-20-19(24-18-13-22-11-12-25(18)20)14-3-5-15(6-4-14)21(26)27/h3-13,23H,2H2,1H3,(H,26,27)
InChIKeySPULAMYENXPWKD-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.24
Rot. Bonds6

About 4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid

4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid (PubChem CID 53208276) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid
PubChem CID53208276
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid
SMILESCCOc1ccc(Nc2c(-c3ccc(C(=O)O)cc3)nc3cnccn23)cc1
InChIInChI=1S/C21H18N4O3/c1-2-28-17-9-7-16(8-10-17)23-20-19(24-18-13-22-11-12-25(18)20)14-3-5-15(6-4-14)21(26)27/h3-13,23H,2H2,1H3,(H,26,27)
InChIKeySPULAMYENXPWKD-UHFFFAOYSA-N
XLogP4.24
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic 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 4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid?
The IUPAC name of 4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid (CID 53208276) is 4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid.
What is the SMILES notation for 4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid?
The canonical SMILES for 4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid is CCOc1ccc(Nc2c(-c3ccc(C(=O)O)cc3)nc3cnccn23)cc1.
What is the InChIKey of 4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid?
The InChIKey is SPULAMYENXPWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-2-28-17-9-7-16(8-10-17)23-20-19(24-18-13-22-11-12-25(18)20)14-3-5-15(6-4-14)21(26)27/h3-13,23H,2H2,1H3,(H,26,27).
What are the key properties of 4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid?
4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid has a molecular weight of 374.40 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid is sourced from PubChem (CID 53208276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).