4-(6-phenylimidazo[1,5-a]pyrazin-3-yl)benzoic acid

C19H13N3O2 — CID 134810659

IUPAC4-(6-phenylimidazo[1,5-a]pyrazin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncc3cnc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C19H13N3O2/c23-19(24)15-8-6-14(7-9-15)18-21-11-16-10-20-17(12-22(16)18)13-4-2-1-3-5-13/h1-12H,(H,23,24)
InChIKeyUQVJPNWAMVJQFK-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.76
Rot. Bonds3

About 4-(6-phenylimidazo[1,5-a]pyrazin-3-yl)benzoic acid

4-(6-phenylimidazo[1,5-a]pyrazin-3-yl)benzoic acid (PubChem CID 134810659) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-(6-phenylimidazo[1,5-a]pyrazin-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(6-phenylimidazo[1,5-a]pyrazin-3-yl)benzoic acid
PubChem CID134810659
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name4-(6-phenylimidazo[1,5-a]pyrazin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncc3cnc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C19H13N3O2/c23-19(24)15-8-6-14(7-9-15)18-21-11-16-10-20-17(12-22(16)18)13-4-2-1-3-5-13/h1-12H,(H,23,24)
InChIKeyUQVJPNWAMVJQFK-UHFFFAOYSA-N
XLogP3.76
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(6-phenylimidazo[1,5-a]pyrazin-3-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-(6-phenylimidazo[1,5-a]pyrazin-3-yl)benzoic acid?
The IUPAC name of 4-(6-phenylimidazo[1,5-a]pyrazin-3-yl)benzoic acid (CID 134810659) is 4-(6-phenylimidazo[1,5-a]pyrazin-3-yl)benzoic acid.
What is the SMILES notation for 4-(6-phenylimidazo[1,5-a]pyrazin-3-yl)benzoic acid?
The canonical SMILES for 4-(6-phenylimidazo[1,5-a]pyrazin-3-yl)benzoic acid is O=C(O)c1ccc(-c2ncc3cnc(-c4ccccc4)cn23)cc1.
What is the InChIKey of 4-(6-phenylimidazo[1,5-a]pyrazin-3-yl)benzoic acid?
The InChIKey is UQVJPNWAMVJQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-19(24)15-8-6-14(7-9-15)18-21-11-16-10-20-17(12-22(16)18)13-4-2-1-3-5-13/h1-12H,(H,23,24).
What are the key properties of 4-(6-phenylimidazo[1,5-a]pyrazin-3-yl)benzoic acid?
4-(6-phenylimidazo[1,5-a]pyrazin-3-yl)benzoic acid has a molecular weight of 315.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenylimidazo[1,5-a]pyrazin-3-yl)benzoic acid is sourced from PubChem (CID 134810659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).