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

C19H14N4O3 — CID 175664940

IUPAC3-hydroxy-4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2c(-c3ccccc3)nc3cnccn23)c(O)c1
InChIInChI=1S/C19H14N4O3/c24-15-10-13(19(25)26)6-7-14(15)21-18-17(12-4-2-1-3-5-12)22-16-11-20-8-9-23(16)18/h1-11,21,24H,(H,25,26)
InChIKeyAPCAGFQZRSOMRE-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.54
Rot. Bonds4

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

3-hydroxy-4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid (PubChem CID 175664940) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 3-hydroxy-4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid
PubChem CID175664940
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name3-hydroxy-4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2c(-c3ccccc3)nc3cnccn23)c(O)c1
InChIInChI=1S/C19H14N4O3/c24-15-10-13(19(25)26)6-7-14(15)21-18-17(12-4-2-1-3-5-12)22-16-11-20-8-9-23(16)18/h1-11,21,24H,(H,25,26)
InChIKeyAPCAGFQZRSOMRE-UHFFFAOYSA-N
XLogP3.54
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid?
The IUPAC name of 3-hydroxy-4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid (CID 175664940) is 3-hydroxy-4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid.
What is the SMILES notation for 3-hydroxy-4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid?
The canonical SMILES for 3-hydroxy-4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid is O=C(O)c1ccc(Nc2c(-c3ccccc3)nc3cnccn23)c(O)c1.
What is the InChIKey of 3-hydroxy-4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid?
The InChIKey is APCAGFQZRSOMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c24-15-10-13(19(25)26)6-7-14(15)21-18-17(12-4-2-1-3-5-12)22-16-11-20-8-9-23(16)18/h1-11,21,24H,(H,25,26).
What are the key properties of 3-hydroxy-4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid?
3-hydroxy-4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid has a molecular weight of 346.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid is sourced from PubChem (CID 175664940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).