3-(2H-pyrazolo[3,4-c]pyridin-3-yl)propanoic acid

C9H9N3O2 — CID 84663068

IUPAC3-(2H-pyrazolo[3,4-c]pyridin-3-yl)propanoic acid
SMILESO=C(O)CCc1[nH]nc2cnccc12
InChIInChI=1S/C9H9N3O2/c13-9(14)2-1-7-6-3-4-10-5-8(6)12-11-7/h3-5H,1-2H2,(H,11,12)(H,13,14)
InChIKeyOPVZKBAMBLDVFK-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.98
Rot. Bonds3

About 3-(2H-pyrazolo[3,4-c]pyridin-3-yl)propanoic acid

3-(2H-pyrazolo[3,4-c]pyridin-3-yl)propanoic acid (PubChem CID 84663068) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-(2H-pyrazolo[3,4-c]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2H-pyrazolo[3,4-c]pyridin-3-yl)propanoic acid
PubChem CID84663068
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-(2H-pyrazolo[3,4-c]pyridin-3-yl)propanoic acid
SMILESO=C(O)CCc1[nH]nc2cnccc12
InChIInChI=1S/C9H9N3O2/c13-9(14)2-1-7-6-3-4-10-5-8(6)12-11-7/h3-5H,1-2H2,(H,11,12)(H,13,14)
InChIKeyOPVZKBAMBLDVFK-UHFFFAOYSA-N
XLogP0.98
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-fluoro-2H-indazol-3-yl)propanoic acid
CID 83909180
2-(2H-pyrazolo[4,3-c]pyridin-3-yl)ethanol
CID 84651545
1-(2H-pyrazolo[4,3-c]pyridin-3-yl)propan-2-one
CID 84655161
2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde
CID 84649151
3-(5-methyl-2H-thieno[3,2-c]pyrazol-3-yl)propanoic acid
CID 96614420
3-(3-methyl-4-pyridinyl)propanoic acid
CID 66322322
3-(3-fluoro-4-pyridinyl)propanoic acid
CID 84653318
3-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-2H-indazole;bis(2,2,2-trifluoroacetic acid)
CID 171687033
butanedioic acid;isoquinolin-5-amine
CID 158729130
3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166259361
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
2H-pyrazolo[4,3-c]pyridin-3-ylmethanamine
CID 76847172

Frequently Asked Questions

What is the IUPAC name of 3-(2H-pyrazolo[3,4-c]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(2H-pyrazolo[3,4-c]pyridin-3-yl)propanoic acid (CID 84663068) is 3-(2H-pyrazolo[3,4-c]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(2H-pyrazolo[3,4-c]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(2H-pyrazolo[3,4-c]pyridin-3-yl)propanoic acid is O=C(O)CCc1[nH]nc2cnccc12.
What is the InChIKey of 3-(2H-pyrazolo[3,4-c]pyridin-3-yl)propanoic acid?
The InChIKey is OPVZKBAMBLDVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c13-9(14)2-1-7-6-3-4-10-5-8(6)12-11-7/h3-5H,1-2H2,(H,11,12)(H,13,14).
What are the key properties of 3-(2H-pyrazolo[3,4-c]pyridin-3-yl)propanoic acid?
3-(2H-pyrazolo[3,4-c]pyridin-3-yl)propanoic acid has a molecular weight of 191.19 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-pyrazolo[3,4-c]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 84663068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).