(4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone

C13H11BrFN3O — CID 63025085

IUPAC(4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESO=C(c1ccc(Br)cc1F)N1CCn2ccnc2C1
InChIInChI=1S/C13H11BrFN3O/c14-9-1-2-10(11(15)7-9)13(19)18-6-5-17-4-3-16-12(17)8-18/h1-4,7H,5-6,8H2
InChIKeyXODRIVKBTNSZMV-UHFFFAOYSA-N
MW324.15 g/mol
LogP2.44
Rot. Bonds1

About (4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone

(4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (PubChem CID 63025085) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
PubChem CID63025085
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC Name(4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESO=C(c1ccc(Br)cc1F)N1CCn2ccnc2C1
InChIInChI=1S/C13H11BrFN3O/c14-9-1-2-10(11(15)7-9)13(19)18-6-5-17-4-3-16-12(17)8-18/h1-4,7H,5-6,8H2
InChIKeyXODRIVKBTNSZMV-UHFFFAOYSA-N
XLogP2.44
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (CID 63025085) is (4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is O=C(c1ccc(Br)cc1F)N1CCn2ccnc2C1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The InChIKey is XODRIVKBTNSZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c14-9-1-2-10(11(15)7-9)13(19)18-6-5-17-4-3-16-12(17)8-18/h1-4,7H,5-6,8H2.
What are the key properties of (4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
(4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone has a molecular weight of 324.15 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 63025085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).