4-[6-(3-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid

C19H12FN3O2 — CID 134810646

IUPAC4-[6-(3-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2ncc3cnc(-c4cccc(F)c4)cn23)cc1
InChIInChI=1S/C19H12FN3O2/c20-15-3-1-2-14(8-15)17-11-23-16(9-21-17)10-22-18(23)12-4-6-13(7-5-12)19(24)25/h1-11H,(H,24,25)
InChIKeyLTGRAXNYSIQACX-UHFFFAOYSA-N
MW333.32 g/mol
LogP3.90
Rot. Bonds3

About 4-[6-(3-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid

4-[6-(3-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid (PubChem CID 134810646) has the molecular formula C19H12FN3O2 and a molecular weight of 333.32 g/mol. Its IUPAC name is 4-[6-(3-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[6-(3-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid
PubChem CID134810646
Molecular FormulaC19H12FN3O2
Molecular Weight333.32 g/mol
Exact Mass333.09
IUPAC Name4-[6-(3-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2ncc3cnc(-c4cccc(F)c4)cn23)cc1
InChIInChI=1S/C19H12FN3O2/c20-15-3-1-2-14(8-15)17-11-23-16(9-21-17)10-22-18(23)12-4-6-13(7-5-12)19(24)25/h1-11H,(H,24,25)
InChIKeyLTGRAXNYSIQACX-UHFFFAOYSA-N
XLogP3.90
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid?
The IUPAC name of 4-[6-(3-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid (CID 134810646) is 4-[6-(3-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid.
What is the SMILES notation for 4-[6-(3-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid?
The canonical SMILES for 4-[6-(3-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid is O=C(O)c1ccc(-c2ncc3cnc(-c4cccc(F)c4)cn23)cc1.
What is the InChIKey of 4-[6-(3-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid?
The InChIKey is LTGRAXNYSIQACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2/c20-15-3-1-2-14(8-15)17-11-23-16(9-21-17)10-22-18(23)12-4-6-13(7-5-12)19(24)25/h1-11H,(H,24,25).
What are the key properties of 4-[6-(3-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid?
4-[6-(3-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid has a molecular weight of 333.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid is sourced from PubChem (CID 134810646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).