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

C20H22FN3O2 — CID 146036004

IUPAC6-ethyl-1-(4-fluorophenyl)-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(C(CC)CC)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C20H22FN3O2/c1-4-12(5-2)18-17-16(20(25)26)11-14(6-3)22-19(17)24(23-18)15-9-7-13(21)8-10-15/h7-12H,4-6H2,1-3H3,(H,25,26)
InChIKeyIJUSQKANLCHLHY-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.72
Rot. Bonds6

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

6-ethyl-1-(4-fluorophenyl)-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 146036004) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 6-ethyl-1-(4-fluorophenyl)-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-1-(4-fluorophenyl)-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID146036004
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name6-ethyl-1-(4-fluorophenyl)-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(C(CC)CC)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C20H22FN3O2/c1-4-12(5-2)18-17-16(20(25)26)11-14(6-3)22-19(17)24(23-18)15-9-7-13(21)8-10-15/h7-12H,4-6H2,1-3H3,(H,25,26)
InChIKeyIJUSQKANLCHLHY-UHFFFAOYSA-N
XLogP4.72
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(4-fluorophenyl)-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-ethyl-1-(4-fluorophenyl)-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 146036004) is 6-ethyl-1-(4-fluorophenyl)-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-1-(4-fluorophenyl)-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-ethyl-1-(4-fluorophenyl)-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid is CCc1cc(C(=O)O)c2c(C(CC)CC)nn(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 6-ethyl-1-(4-fluorophenyl)-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is IJUSQKANLCHLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-4-12(5-2)18-17-16(20(25)26)11-14(6-3)22-19(17)24(23-18)15-9-7-13(21)8-10-15/h7-12H,4-6H2,1-3H3,(H,25,26).
What are the key properties of 6-ethyl-1-(4-fluorophenyl)-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-ethyl-1-(4-fluorophenyl)-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 355.41 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(4-fluorophenyl)-3-pentan-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 146036004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).