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

C14H10FN3O3 — CID 170916889

IUPAC1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(-c2cccc(F)c2)c2[nH]c(=O)cc(C(=O)O)c12
InChIInChI=1S/C14H10FN3O3/c1-7-12-10(14(20)21)6-11(19)16-13(12)18(17-7)9-4-2-3-8(15)5-9/h2-6H,1H3,(H,16,19)(H,20,21)
InChIKeyOKHCQOCWQLBPGK-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.86
Rot. Bonds2

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

1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 170916889) has the molecular formula C14H10FN3O3 and a molecular weight of 287.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID170916889
Molecular FormulaC14H10FN3O3
Molecular Weight287.25 g/mol
Exact Mass287.07
IUPAC Name1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(-c2cccc(F)c2)c2[nH]c(=O)cc(C(=O)O)c12
InChIInChI=1S/C14H10FN3O3/c1-7-12-10(14(20)21)6-11(19)16-13(12)18(17-7)9-4-2-3-8(15)5-9/h2-6H,1H3,(H,16,19)(H,20,21)
InChIKeyOKHCQOCWQLBPGK-UHFFFAOYSA-N
XLogP1.86
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 170916889) is 1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1nn(-c2cccc(F)c2)c2[nH]c(=O)cc(C(=O)O)c12.
What is the InChIKey of 1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is OKHCQOCWQLBPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3/c1-7-12-10(14(20)21)6-11(19)16-13(12)18(17-7)9-4-2-3-8(15)5-9/h2-6H,1H3,(H,16,19)(H,20,21).
What are the key properties of 1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 287.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 170916889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).