5-bromo-1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazin-2-one

C16H18BrFN4O — CID 146242923

IUPAC5-bromo-1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazin-2-one
SMILESCN1CCN(c2nc(Br)cn(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C16H18BrFN4O/c1-20-6-8-21(9-7-20)15-16(23)22(11-14(17)19-15)10-12-2-4-13(18)5-3-12/h2-5,11H,6-10H2,1H3
InChIKeyDFVIBUDOMTYESD-UHFFFAOYSA-N
MW381.25 g/mol
LogP1.95
Rot. Bonds3

About 5-bromo-1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazin-2-one

5-bromo-1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazin-2-one (PubChem CID 146242923) has the molecular formula C16H18BrFN4O and a molecular weight of 381.25 g/mol. Its IUPAC name is 5-bromo-1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazin-2-one
PubChem CID146242923
Molecular FormulaC16H18BrFN4O
Molecular Weight381.25 g/mol
Exact Mass380.06
IUPAC Name5-bromo-1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazin-2-one
SMILESCN1CCN(c2nc(Br)cn(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C16H18BrFN4O/c1-20-6-8-21(9-7-20)15-16(23)22(11-14(17)19-15)10-12-2-4-13(18)5-3-12/h2-5,11H,6-10H2,1H3
InChIKeyDFVIBUDOMTYESD-UHFFFAOYSA-N
XLogP1.95
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazin-2-one 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-{[4-(4-fluorobenzyl)-3-oxo-1-piperazinyl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 45932620
3-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one
CID 25884627
6-ethyl-2-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4(3H)-one
CID 49813871
6-ethyl-2-(3-fluorophenyl)-3-[2-oxo-2-(piperidin-1-yl)ethyl]pyrimidin-4(3H)-one
CID 49813925
1-Ethyl-3-{[(4-fluorophenyl)methyl]amino}-1,2-dihydropyrazin-2-one
CID 53015094
3-Amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one
CID 53015115
3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one
CID 59830278
7-Bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8908783
3-[2-(4-Acetylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one
CID 25884761
6-(4-fluorophenyl)-3-(2-(piperidin-1-yl)ethyl)pyrimidin-4(3H)-one
CID 30462951
1-[(4-Fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]pyrazin-2-one
CID 46337606
2-(4-fluorophenyl)-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4(3H)-one
CID 49815714

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazin-2-one?
The IUPAC name of 5-bromo-1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazin-2-one (CID 146242923) is 5-bromo-1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazin-2-one.
What is the SMILES notation for 5-bromo-1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazin-2-one?
The canonical SMILES for 5-bromo-1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazin-2-one is CN1CCN(c2nc(Br)cn(Cc3ccc(F)cc3)c2=O)CC1.
What is the InChIKey of 5-bromo-1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazin-2-one?
The InChIKey is DFVIBUDOMTYESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN4O/c1-20-6-8-21(9-7-20)15-16(23)22(11-14(17)19-15)10-12-2-4-13(18)5-3-12/h2-5,11H,6-10H2,1H3.
What are the key properties of 5-bromo-1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazin-2-one?
5-bromo-1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazin-2-one has a molecular weight of 381.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)pyrazin-2-one is sourced from PubChem (CID 146242923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).