6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

C14H10FN3O3 — CID 136507976

IUPAC6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1[nH]nc2nc(-c3ccc(O)c(F)c3)cc(C(=O)O)c12
InChIInChI=1S/C14H10FN3O3/c1-6-12-8(14(20)21)5-10(16-13(12)18-17-6)7-2-3-11(19)9(15)4-7/h2-5,19H,1H3,(H,20,21)(H,16,17,18)
InChIKeyBHULMOYLHXETMY-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.48
Rot. Bonds2

About 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 136507976) has the molecular formula C14H10FN3O3 and a molecular weight of 287.25 g/mol. Its IUPAC name is 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID136507976
Molecular FormulaC14H10FN3O3
Molecular Weight287.25 g/mol
Exact Mass287.07
IUPAC Name6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1[nH]nc2nc(-c3ccc(O)c(F)c3)cc(C(=O)O)c12
InChIInChI=1S/C14H10FN3O3/c1-6-12-8(14(20)21)5-10(16-13(12)18-17-6)7-2-3-11(19)9(15)4-7/h2-5,19H,1H3,(H,20,21)(H,16,17,18)
InChIKeyBHULMOYLHXETMY-UHFFFAOYSA-N
XLogP2.48
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136507861
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136508186
6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 136507825
2,8-diazaspiro[4.5]decan-2-yl-[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136507872
6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591808
[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-propan-2-ylpiperazin-1-yl)methanone
CID 136508066
[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpiperazin-1-yl]methanone
CID 136508065
N-(6-aminospiro[3.3]heptan-2-yl)-6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591790
N-(1-cyclohexylpiperidin-4-yl)-6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591810
6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 135638532
[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-spiro[2H-indole-3,4'-piperidine]-1-ylmethanone
CID 136591800
6-(4-chlorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548743

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 136507976) is 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is Cc1[nH]nc2nc(-c3ccc(O)c(F)c3)cc(C(=O)O)c12.
What is the InChIKey of 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is BHULMOYLHXETMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3/c1-6-12-8(14(20)21)5-10(16-13(12)18-17-6)7-2-3-11(19)9(15)4-7/h2-5,19H,1H3,(H,20,21)(H,16,17,18).
What are the key properties of 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 287.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 136507976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).