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

C19H13FN4O2 — CID 53207881

IUPAC3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
SMILESO=C(O)c1cccc(Nc2c(-c3ccc(F)cc3)nc3cnccn23)c1
InChIInChI=1S/C19H13FN4O2/c20-14-6-4-12(5-7-14)17-18(24-9-8-21-11-16(24)23-17)22-15-3-1-2-13(10-15)19(25)26/h1-11,22H,(H,25,26)
InChIKeyKIUYLGXPAHBZFW-UHFFFAOYSA-N
MW348.34 g/mol
LogP3.98
Rot. Bonds4

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

3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid (PubChem CID 53207881) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
PubChem CID53207881
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC Name3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
SMILESO=C(O)c1cccc(Nc2c(-c3ccc(F)cc3)nc3cnccn23)c1
InChIInChI=1S/C19H13FN4O2/c20-14-6-4-12(5-7-14)17-18(24-9-8-21-11-16(24)23-17)22-15-3-1-2-13(10-15)19(25)26/h1-11,22H,(H,25,26)
InChIKeyKIUYLGXPAHBZFW-UHFFFAOYSA-N
XLogP3.98
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid?
The IUPAC name of 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid (CID 53207881) is 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid?
The canonical SMILES for 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid is O=C(O)c1cccc(Nc2c(-c3ccc(F)cc3)nc3cnccn23)c1.
What is the InChIKey of 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid?
The InChIKey is KIUYLGXPAHBZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/c20-14-6-4-12(5-7-14)17-18(24-9-8-21-11-16(24)23-17)22-15-3-1-2-13(10-15)19(25)26/h1-11,22H,(H,25,26).
What are the key properties of 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid?
3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid has a molecular weight of 348.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid is sourced from PubChem (CID 53207881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).