8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid

C13H8FN3O2 — CID 90488025

IUPAC8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cn2ccnc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C13H8FN3O2/c14-9-3-1-8(2-4-9)11-12-16-10(13(18)19)7-17(12)6-5-15-11/h1-7H,(H,18,19)
InChIKeyIIFOZHPVCPVFFQ-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.23
Rot. Bonds2

About 8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid

8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid (PubChem CID 90488025) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is 8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid
PubChem CID90488025
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC Name8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cn2ccnc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C13H8FN3O2/c14-9-3-1-8(2-4-9)11-12-16-10(13(18)19)7-17(12)6-5-15-11/h1-7H,(H,18,19)
InChIKeyIIFOZHPVCPVFFQ-UHFFFAOYSA-N
XLogP2.23
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
The IUPAC name of 8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid (CID 90488025) is 8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid is O=C(O)c1cn2ccnc(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
The InChIKey is IIFOZHPVCPVFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-9-3-1-8(2-4-9)11-12-16-10(13(18)19)7-17(12)6-5-15-11/h1-7H,(H,18,19).
What are the key properties of 8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid has a molecular weight of 257.22 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 90488025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).