4-bromo-1-(2,4-difluorophenyl)-5-methoxypyrazolo[3,4-c]pyridine

C13H8BrF2N3O — CID 172632668

IUPAC4-bromo-1-(2,4-difluorophenyl)-5-methoxypyrazolo[3,4-c]pyridine
SMILESCOc1ncc2c(cnn2-c2ccc(F)cc2F)c1Br
InChIInChI=1S/C13H8BrF2N3O/c1-20-13-12(14)8-5-18-19(11(8)6-17-13)10-3-2-7(15)4-9(10)16/h2-6H,1H3
InChIKeyVTXLSALCMRKNGZ-UHFFFAOYSA-N
MW340.13 g/mol
LogP3.47
Rot. Bonds2

About 4-bromo-1-(2,4-difluorophenyl)-5-methoxypyrazolo[3,4-c]pyridine

4-bromo-1-(2,4-difluorophenyl)-5-methoxypyrazolo[3,4-c]pyridine (PubChem CID 172632668) has the molecular formula C13H8BrF2N3O and a molecular weight of 340.13 g/mol. Its IUPAC name is 4-bromo-1-(2,4-difluorophenyl)-5-methoxypyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-bromo-1-(2,4-difluorophenyl)-5-methoxypyrazolo[3,4-c]pyridine
PubChem CID172632668
Molecular FormulaC13H8BrF2N3O
Molecular Weight340.13 g/mol
Exact Mass338.98
IUPAC Name4-bromo-1-(2,4-difluorophenyl)-5-methoxypyrazolo[3,4-c]pyridine
SMILESCOc1ncc2c(cnn2-c2ccc(F)cc2F)c1Br
InChIInChI=1S/C13H8BrF2N3O/c1-20-13-12(14)8-5-18-19(11(8)6-17-13)10-3-2-7(15)4-9(10)16/h2-6H,1H3
InChIKeyVTXLSALCMRKNGZ-UHFFFAOYSA-N
XLogP3.47
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.13
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-1-(2,4-difluorophenyl)-5-methoxypyrazolo[3,4-c]pyridine 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-1-(2,4-difluorophenyl)-5-methoxypyrazolo[3,4-c]pyridine?
The IUPAC name of 4-bromo-1-(2,4-difluorophenyl)-5-methoxypyrazolo[3,4-c]pyridine (CID 172632668) is 4-bromo-1-(2,4-difluorophenyl)-5-methoxypyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-bromo-1-(2,4-difluorophenyl)-5-methoxypyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-bromo-1-(2,4-difluorophenyl)-5-methoxypyrazolo[3,4-c]pyridine is COc1ncc2c(cnn2-c2ccc(F)cc2F)c1Br.
What is the InChIKey of 4-bromo-1-(2,4-difluorophenyl)-5-methoxypyrazolo[3,4-c]pyridine?
The InChIKey is VTXLSALCMRKNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2N3O/c1-20-13-12(14)8-5-18-19(11(8)6-17-13)10-3-2-7(15)4-9(10)16/h2-6H,1H3.
What are the key properties of 4-bromo-1-(2,4-difluorophenyl)-5-methoxypyrazolo[3,4-c]pyridine?
4-bromo-1-(2,4-difluorophenyl)-5-methoxypyrazolo[3,4-c]pyridine has a molecular weight of 340.13 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2,4-difluorophenyl)-5-methoxypyrazolo[3,4-c]pyridine is sourced from PubChem (CID 172632668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).