5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-2-one

C13H13BrFN5O — CID 166307150

IUPAC5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-2-one
SMILESO=c1ccc(N2CCN(c3ncnc(F)c3Br)CC2)c[nH]1
InChIInChI=1S/C13H13BrFN5O/c14-11-12(15)17-8-18-13(11)20-5-3-19(4-6-20)9-1-2-10(21)16-7-9/h1-2,7-8H,3-6H2,(H,16,21)
InChIKeyZORYTEXOQCNBTC-UHFFFAOYSA-N
MW354.18 g/mol
LogP1.39
Rot. Bonds2

About 5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-2-one

5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-2-one (PubChem CID 166307150) has the molecular formula C13H13BrFN5O and a molecular weight of 354.18 g/mol. Its IUPAC name is 5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-2-one
PubChem CID166307150
Molecular FormulaC13H13BrFN5O
Molecular Weight354.18 g/mol
Exact Mass353.03
IUPAC Name5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-2-one
SMILESO=c1ccc(N2CCN(c3ncnc(F)c3Br)CC2)c[nH]1
InChIInChI=1S/C13H13BrFN5O/c14-11-12(15)17-8-18-13(11)20-5-3-19(4-6-20)9-1-2-10(21)16-7-9/h1-2,7-8H,3-6H2,(H,16,21)
InChIKeyZORYTEXOQCNBTC-UHFFFAOYSA-N
XLogP1.39
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-2-one (CID 166307150) is 5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-2-one is O=c1ccc(N2CCN(c3ncnc(F)c3Br)CC2)c[nH]1.
What is the InChIKey of 5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is ZORYTEXOQCNBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN5O/c14-11-12(15)17-8-18-13(11)20-5-3-19(4-6-20)9-1-2-10(21)16-7-9/h1-2,7-8H,3-6H2,(H,16,21).
What are the key properties of 5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-2-one?
5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 354.18 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 166307150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).