1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C20H14BrFN4O — CID 78891259

IUPAC1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C20H14BrFN4O/c21-17-9-16(22)6-7-18(17)25-20(27)15-8-14-11-24-26(19(14)23-10-15)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,25,27)
InChIKeyHFMVNOHICDYCDK-UHFFFAOYSA-N
MW425.26 g/mol
LogP4.63
Rot. Bonds4

About 1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 78891259) has the molecular formula C20H14BrFN4O and a molecular weight of 425.26 g/mol. Its IUPAC name is 1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID78891259
Molecular FormulaC20H14BrFN4O
Molecular Weight425.26 g/mol
Exact Mass424.03
IUPAC Name1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C20H14BrFN4O/c21-17-9-16(22)6-7-18(17)25-20(27)15-8-14-11-24-26(19(14)23-10-15)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,25,27)
InChIKeyHFMVNOHICDYCDK-UHFFFAOYSA-N
XLogP4.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.26
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 75453155
1-benzyl-N-[4-(dimethylsulfamoyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78836743
1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 78891259) is 1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(Nc1ccc(F)cc1Br)c1cnc2c(cnn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is HFMVNOHICDYCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrFN4O/c21-17-9-16(22)6-7-18(17)25-20(27)15-8-14-11-24-26(19(14)23-10-15)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,25,27).
What are the key properties of 1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 425.26 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78891259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).