4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid

C19H14N4O2 — CID 53207855

IUPAC4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2c(-c3ccccc3)nc3cnccn23)cc1
InChIInChI=1S/C19H14N4O2/c24-19(25)14-6-8-15(9-7-14)21-18-17(13-4-2-1-3-5-13)22-16-12-20-10-11-23(16)18/h1-12,21H,(H,24,25)
InChIKeyYLBJWVAGVSLAMC-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.84
Rot. Bonds4

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

4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid (PubChem CID 53207855) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid
PubChem CID53207855
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2c(-c3ccccc3)nc3cnccn23)cc1
InChIInChI=1S/C19H14N4O2/c24-19(25)14-6-8-15(9-7-14)21-18-17(13-4-2-1-3-5-13)22-16-12-20-10-11-23(16)18/h1-12,21H,(H,24,25)
InChIKeyYLBJWVAGVSLAMC-UHFFFAOYSA-N
XLogP3.84
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid?
The IUPAC name of 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid (CID 53207855) is 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid?
The canonical SMILES for 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid is O=C(O)c1ccc(Nc2c(-c3ccccc3)nc3cnccn23)cc1.
What is the InChIKey of 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid?
The InChIKey is YLBJWVAGVSLAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-19(25)14-6-8-15(9-7-14)21-18-17(13-4-2-1-3-5-13)22-16-12-20-10-11-23(16)18/h1-12,21H,(H,24,25).
What are the key properties of 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid?
4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid has a molecular weight of 330.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid is sourced from PubChem (CID 53207855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).