3-bromo-7-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-one

C13H9BrFN3O — CID 72943198

IUPAC3-bromo-7-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-one
SMILESO=c1c2ncc(Br)n2ccn1Cc1ccc(F)cc1
InChIInChI=1S/C13H9BrFN3O/c14-11-7-16-12-13(19)17(5-6-18(11)12)8-9-1-3-10(15)4-2-9/h1-7H,8H2
InChIKeyZPQVGRMRUWTUPF-UHFFFAOYSA-N
MW322.14 g/mol
LogP2.45
Rot. Bonds2

About 3-bromo-7-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-one

3-bromo-7-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-one (PubChem CID 72943198) has the molecular formula C13H9BrFN3O and a molecular weight of 322.14 g/mol. Its IUPAC name is 3-bromo-7-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name3-bromo-7-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-one
PubChem CID72943198
Molecular FormulaC13H9BrFN3O
Molecular Weight322.14 g/mol
Exact Mass320.99
IUPAC Name3-bromo-7-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-one
SMILESO=c1c2ncc(Br)n2ccn1Cc1ccc(F)cc1
InChIInChI=1S/C13H9BrFN3O/c14-11-7-16-12-13(19)17(5-6-18(11)12)8-9-1-3-10(15)4-2-9/h1-7H,8H2
InChIKeyZPQVGRMRUWTUPF-UHFFFAOYSA-N
XLogP2.45
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520207
1-[(4-fluorophenyl)methyl]-4-(3-methylbutyl)pyrazine-2,3-dione
CID 163349719
5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one
CID 21089612
2-[(4-fluorophenyl)methyl]isoquinolin-1-one
CID 9354445
7-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 16813336
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(4-phenylphenyl)methyl]pyridin-2-one
CID 11476791
11-[(4-fluorophenyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 749297
5-amino-2-[(4-fluorophenyl)methyl]isoquinolin-1-one;2-[(4-fluorophenyl)methyl]-5-iodoisoquinolin-1-one
CID 158817770
1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride
CID 119811051
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-4-ylpyrido[1,2-a]pyrazine-1,8-dione
CID 54683507
1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 175277158
1-[(4-bromophenyl)methyl]-4-methylpyrazine-2,3-dione
CID 62886037

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 3-bromo-7-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-one (CID 72943198) is 3-bromo-7-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 3-bromo-7-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 3-bromo-7-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-one is O=c1c2ncc(Br)n2ccn1Cc1ccc(F)cc1.
What is the InChIKey of 3-bromo-7-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-one?
The InChIKey is ZPQVGRMRUWTUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O/c14-11-7-16-12-13(19)17(5-6-18(11)12)8-9-1-3-10(15)4-2-9/h1-7H,8H2.
What are the key properties of 3-bromo-7-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-one?
3-bromo-7-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-one has a molecular weight of 322.14 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 72943198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).