3-ethyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid

C15H12FN3O3 — CID 170916803

IUPAC3-ethyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCc1nn(-c2ccc(F)cc2)c2[nH]c(=O)cc(C(=O)O)c12
InChIInChI=1S/C15H12FN3O3/c1-2-11-13-10(15(21)22)7-12(20)17-14(13)19(18-11)9-5-3-8(16)4-6-9/h3-7H,2H2,1H3,(H,17,20)(H,21,22)
InChIKeyUJDMWYMGYXJMBH-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.11
Rot. Bonds3

About 3-ethyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid

3-ethyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 170916803) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is 3-ethyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID170916803
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Name3-ethyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCc1nn(-c2ccc(F)cc2)c2[nH]c(=O)cc(C(=O)O)c12
InChIInChI=1S/C15H12FN3O3/c1-2-11-13-10(15(21)22)7-12(20)17-14(13)19(18-11)9-5-3-8(16)4-6-9/h3-7H,2H2,1H3,(H,17,20)(H,21,22)
InChIKeyUJDMWYMGYXJMBH-UHFFFAOYSA-N
XLogP2.11
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-ethyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 170916803) is 3-ethyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid is CCc1nn(-c2ccc(F)cc2)c2[nH]c(=O)cc(C(=O)O)c12.
What is the InChIKey of 3-ethyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is UJDMWYMGYXJMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c1-2-11-13-10(15(21)22)7-12(20)17-14(13)19(18-11)9-5-3-8(16)4-6-9/h3-7H,2H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 3-ethyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
3-ethyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 301.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 170916803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).