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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Related Compounds

1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135734247
4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135530976
1-(3-fluorophenyl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-d]pyrimidine-4-thione
CID 155714923
3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid
CID 82472525
3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanoic acid
CID 20854873
1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135686640
3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 2487436
1-(3-fluorophenyl)pyrazole-3,4-dicarboxylic acid
CID 82131402
5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
CID 115043942
2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid
CID 82475767
1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 136817813
1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid
CID 82121582

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).