5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile

C13H7BrN4 — CID 176898342

IUPAC5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)c2nccn2c1Br
InChIInChI=1S/C13H7BrN4/c14-12-10(8-15)17-11(9-4-2-1-3-5-9)13-16-6-7-18(12)13/h1-7H
InChIKeyZEIBSMPSCBIFCH-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.03
Rot. Bonds1

About 5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile

5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile (PubChem CID 176898342) has the molecular formula C13H7BrN4 and a molecular weight of 299.13 g/mol. Its IUPAC name is 5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile.

Molecular Properties

Compound Name5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile
PubChem CID176898342
Molecular FormulaC13H7BrN4
Molecular Weight299.13 g/mol
Exact Mass297.99
IUPAC Name5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)c2nccn2c1Br
InChIInChI=1S/C13H7BrN4/c14-12-10(8-15)17-11(9-4-2-1-3-5-9)13-16-6-7-18(12)13/h1-7H
InChIKeyZEIBSMPSCBIFCH-UHFFFAOYSA-N
XLogP3.03
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114
4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile
CID 12911598
16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile
CID 71131770
3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile
CID 155934343
3-bromo-4-phenylpyridine-2-carbonitrile
CID 130138671
5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile
CID 162717722
3-isocyano-5,6-diphenylpyrazine-2-carbonitrile
CID 140658534
4,5-diphenylimidazo[1,2-a]quinoline
CID 135058439
3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile
CID 20567061
3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile
CID 140915776
8-[2-[difluoro(iodo)methyl]-6-methyl-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine
CID 146266687
5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile
CID 13336955

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile?
The IUPAC name of 5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile (CID 176898342) is 5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile.
What is the SMILES notation for 5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile?
The canonical SMILES for 5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile is N#Cc1nc(-c2ccccc2)c2nccn2c1Br.
What is the InChIKey of 5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile?
The InChIKey is ZEIBSMPSCBIFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrN4/c14-12-10(8-15)17-11(9-4-2-1-3-5-9)13-16-6-7-18(12)13/h1-7H.
What are the key properties of 5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile?
5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile has a molecular weight of 299.13 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile is sourced from PubChem (CID 176898342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).