1-(4-fluorophenyl)-6-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid

C19H20FN3O2 — CID 155569383

IUPAC1-(4-fluorophenyl)-6-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCC(CC)c1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)O)c12
InChIInChI=1S/C19H20FN3O2/c1-4-12(5-2)17-16-15(19(24)25)10-11(3)21-18(16)23(22-17)14-8-6-13(20)7-9-14/h6-10,12H,4-5H2,1-3H3,(H,24,25)
InChIKeyCRTIOMKZYDEYOT-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.47
Rot. Bonds5

About 1-(4-fluorophenyl)-6-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid

1-(4-fluorophenyl)-6-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 155569383) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID155569383
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-(4-fluorophenyl)-6-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCC(CC)c1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)O)c12
InChIInChI=1S/C19H20FN3O2/c1-4-12(5-2)17-16-15(19(24)25)10-11(3)21-18(16)23(22-17)14-8-6-13(20)7-9-14/h6-10,12H,4-5H2,1-3H3,(H,24,25)
InChIKeyCRTIOMKZYDEYOT-UHFFFAOYSA-N
XLogP4.47
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 155569383) is 1-(4-fluorophenyl)-6-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid is CCC(CC)c1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)O)c12.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is CRTIOMKZYDEYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-4-12(5-2)17-16-15(19(24)25)10-11(3)21-18(16)23(22-17)14-8-6-13(20)7-9-14/h6-10,12H,4-5H2,1-3H3,(H,24,25).
What are the key properties of 1-(4-fluorophenyl)-6-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
1-(4-fluorophenyl)-6-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 341.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 155569383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).