5-[(4-bromo-2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

C17H11BrFN3OS — CID 71802696

IUPAC5-[(4-bromo-2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccs3)nn2ccn1Cc1ccc(Br)cc1F
InChIInChI=1S/C17H11BrFN3OS/c18-12-4-3-11(13(19)8-12)10-21-5-6-22-15(17(21)23)9-14(20-22)16-2-1-7-24-16/h1-9H,10H2
InChIKeyXBJDVMUWDSZJLO-UHFFFAOYSA-N
MW404.26 g/mol
LogP4.17
Rot. Bonds3

About 5-[(4-bromo-2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

5-[(4-bromo-2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 71802696) has the molecular formula C17H11BrFN3OS and a molecular weight of 404.26 g/mol. Its IUPAC name is 5-[(4-bromo-2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(4-bromo-2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID71802696
Molecular FormulaC17H11BrFN3OS
Molecular Weight404.26 g/mol
Exact Mass402.98
IUPAC Name5-[(4-bromo-2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccs3)nn2ccn1Cc1ccc(Br)cc1F
InChIInChI=1S/C17H11BrFN3OS/c18-12-4-3-11(13(19)8-12)10-21-5-6-22-15(17(21)23)9-14(20-22)16-2-1-7-24-16/h1-9H,10H2
InChIKeyXBJDVMUWDSZJLO-UHFFFAOYSA-N
XLogP4.17
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(4-bromo-2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-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-bromo-2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(4-bromo-2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (CID 71802696) is 5-[(4-bromo-2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(4-bromo-2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(4-bromo-2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3cccs3)nn2ccn1Cc1ccc(Br)cc1F.
What is the InChIKey of 5-[(4-bromo-2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is XBJDVMUWDSZJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN3OS/c18-12-4-3-11(13(19)8-12)10-21-5-6-22-15(17(21)23)9-14(20-22)16-2-1-7-24-16/h1-9H,10H2.
What are the key properties of 5-[(4-bromo-2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
5-[(4-bromo-2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 404.26 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 71802696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).