(4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid

C12H10BN3O2 — CID 141396507

IUPAC(4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid
SMILESOB(O)c1ccc(-c2cnc3cnccn23)cc1
InChIInChI=1S/C12H10BN3O2/c17-13(18)10-3-1-9(2-4-10)11-7-15-12-8-14-5-6-16(11)12/h1-8,17-18H
InChIKeyCIUVRMFBWMEEQW-UHFFFAOYSA-N
MW239.04 g/mol
LogP0.08
Rot. Bonds2

About (4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid

(4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid (PubChem CID 141396507) has the molecular formula C12H10BN3O2 and a molecular weight of 239.04 g/mol. Its IUPAC name is (4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid.

Molecular Properties

Compound Name(4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid
PubChem CID141396507
Molecular FormulaC12H10BN3O2
Molecular Weight239.04 g/mol
Exact Mass239.09
IUPAC Name(4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid
SMILESOB(O)c1ccc(-c2cnc3cnccn23)cc1
InChIInChI=1S/C12H10BN3O2/c17-13(18)10-3-1-9(2-4-10)11-7-15-12-8-14-5-6-16(11)12/h1-8,17-18H
InChIKeyCIUVRMFBWMEEQW-UHFFFAOYSA-N
XLogP0.08
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.04
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(4-imidazo[1,2-a]pyrazin-3-ylphenyl)methanol
CID 157019835
3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 157018746
3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine
CID 157020249
4-imidazo[1,2-a]pyrazin-3-yl-2-methylphenol
CID 162633964
3-[4-(1-methoxyethyl)phenyl]imidazo[1,2-a]pyrazine
CID 163318481
2-ethyl-4-imidazo[1,2-a]pyrazin-3-ylphenol
CID 162635173
3-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrazine
CID 141418101
3-imidazo[1,2-a]pyrazin-3-yl-N,N-dimethylbenzamide
CID 162626496
3-imidazo[1,2-a]pyrazin-3-ylthiophene-2-carboxylic acid
CID 82385228
2-imidazo[1,2-a]pyrazin-3-yl-N,N-dimethylaniline
CID 157012293
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyrazine
CID 163318110
imidazo[1,2-a]pyrazine-3-carboxylic acid
CID 22024617

Frequently Asked Questions

What is the IUPAC name of (4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid?
The IUPAC name of (4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid (CID 141396507) is (4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid.
What is the SMILES notation for (4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid?
The canonical SMILES for (4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid is OB(O)c1ccc(-c2cnc3cnccn23)cc1.
What is the InChIKey of (4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid?
The InChIKey is CIUVRMFBWMEEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BN3O2/c17-13(18)10-3-1-9(2-4-10)11-7-15-12-8-14-5-6-16(11)12/h1-8,17-18H.
What are the key properties of (4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid?
(4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid has a molecular weight of 239.04 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid is sourced from PubChem (CID 141396507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).