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

C19H14N4O2 — CID 53207883

IUPAC3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid
SMILESO=C(O)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
InChIInChI=1S/C19H14N4O2/c24-19(25)14-7-4-8-15(11-14)21-18-17(13-5-2-1-3-6-13)22-16-12-20-9-10-23(16)18/h1-12,21H,(H,24,25)
InChIKeyXVHKNWKBDPFESY-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.84
Rot. Bonds4

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

3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid (PubChem CID 53207883) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid
PubChem CID53207883
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid
SMILESO=C(O)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1
InChIInChI=1S/C19H14N4O2/c24-19(25)14-7-4-8-15(11-14)21-18-17(13-5-2-1-3-6-13)22-16-12-20-9-10-23(16)18/h1-12,21H,(H,24,25)
InChIKeyXVHKNWKBDPFESY-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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Related Compounds

3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzamide
CID 53207762
3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
CID 53003286
3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylbenzamide
CID 53207768
methyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
CID 53207862
4-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
CID 53003283
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(furan-2-ylmethyl)benzamide
CID 53207803
4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid
CID 53208276
2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine
CID 89350559
3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 53208182
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 53032470
N-(3-chloro-2-methylphenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine
CID 53032460
2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane
CID 143150792

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid?
The IUPAC name of 3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid (CID 53207883) is 3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid.
What is the SMILES notation for 3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid?
The canonical SMILES for 3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid is O=C(O)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1.
What is the InChIKey of 3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid?
The InChIKey is XVHKNWKBDPFESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-19(25)14-7-4-8-15(11-14)21-18-17(13-5-2-1-3-6-13)22-16-12-20-9-10-23(16)18/h1-12,21H,(H,24,25).
What are the key properties of 3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid?
3-[(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 3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid is sourced from PubChem (CID 53207883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).