3-[[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid

C19H14N4O3 — CID 53207882

IUPAC3-[[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
SMILESO=C(O)c1cccc(Nc2c(-c3cccc(O)c3)nc3cnccn23)c1
InChIInChI=1S/C19H14N4O3/c24-15-6-2-3-12(10-15)17-18(23-8-7-20-11-16(23)22-17)21-14-5-1-4-13(9-14)19(25)26/h1-11,21,24H,(H,25,26)
InChIKeyBKPMPSDRXIPBJZ-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.54
Rot. Bonds4

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

3-[[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid (PubChem CID 53207882) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 3-[[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
PubChem CID53207882
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name3-[[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
SMILESO=C(O)c1cccc(Nc2c(-c3cccc(O)c3)nc3cnccn23)c1
InChIInChI=1S/C19H14N4O3/c24-15-6-2-3-12(10-15)17-18(23-8-7-20-11-16(23)22-17)21-14-5-1-4-13(9-14)19(25)26/h1-11,21,24H,(H,25,26)
InChIKeyBKPMPSDRXIPBJZ-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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid?
The IUPAC name of 3-[[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid (CID 53207882) is 3-[[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid.
What is the SMILES notation for 3-[[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid?
The canonical SMILES for 3-[[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid is O=C(O)c1cccc(Nc2c(-c3cccc(O)c3)nc3cnccn23)c1.
What is the InChIKey of 3-[[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid?
The InChIKey is BKPMPSDRXIPBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c24-15-6-2-3-12(10-15)17-18(23-8-7-20-11-16(23)22-17)21-14-5-1-4-13(9-14)19(25)26/h1-11,21,24H,(H,25,26).
What are the key properties of 3-[[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid?
3-[[2-(3-hydroxyphenyl)imidazo[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-[[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid is sourced from PubChem (CID 53207882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).