3-(4-methyl-6-oxo-1H-pyrazolo[5,4-b]pyridin-7-yl)propanoic acid

C10H11N3O3 — CID 84724755

IUPAC3-(4-methyl-6-oxo-1H-pyrazolo[5,4-b]pyridin-7-yl)propanoic acid
SMILESCc1cc(=O)n(CCC(=O)O)c2[nH]ncc12
InChIInChI=1S/C10H11N3O3/c1-6-4-8(14)13(3-2-9(15)16)10-7(6)5-11-12-10/h4-5H,2-3H2,1H3,(H,11,12)(H,15,16)
InChIKeySDHJUBUFTHSBQG-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.51
Rot. Bonds3

About 3-(4-methyl-6-oxo-1H-pyrazolo[5,4-b]pyridin-7-yl)propanoic acid

3-(4-methyl-6-oxo-1H-pyrazolo[5,4-b]pyridin-7-yl)propanoic acid (PubChem CID 84724755) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-(4-methyl-6-oxo-1H-pyrazolo[5,4-b]pyridin-7-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methyl-6-oxo-1H-pyrazolo[5,4-b]pyridin-7-yl)propanoic acid
PubChem CID84724755
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-(4-methyl-6-oxo-1H-pyrazolo[5,4-b]pyridin-7-yl)propanoic acid
SMILESCc1cc(=O)n(CCC(=O)O)c2[nH]ncc12
InChIInChI=1S/C10H11N3O3/c1-6-4-8(14)13(3-2-9(15)16)10-7(6)5-11-12-10/h4-5H,2-3H2,1H3,(H,11,12)(H,15,16)
InChIKeySDHJUBUFTHSBQG-UHFFFAOYSA-N
XLogP0.51
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid
CID 25248232
3-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid
CID 21264851
3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 79366215
3-(2,4,7-trimethylindol-1-yl)propanoic acid
CID 82495481
4-methyl-1-(3-oxobutyl)quinolin-2-one
CID 919960
3-[3-(1,5-dimethylpyrazol-4-yl)-5-oxo-1H-1,2,4-triazol-4-yl]propanoic acid
CID 50974624
3-[2,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-7-yl]propanoic acid
CID 25248233
3-(4-methyl-2-oxoquinolin-1-yl)-N-phenylpropanamide
CID 39763922
5-[2-(4-carboxybutyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]pentanoic acid
CID 102274603
3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 23006022
3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid
CID 117264154
3-(2-carboxyethyl)-2-methyl-4-oxothieno[2,3-d]pyrimidine-5-carboxylic acid
CID 82058839

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6-oxo-1H-pyrazolo[5,4-b]pyridin-7-yl)propanoic acid?
The IUPAC name of 3-(4-methyl-6-oxo-1H-pyrazolo[5,4-b]pyridin-7-yl)propanoic acid (CID 84724755) is 3-(4-methyl-6-oxo-1H-pyrazolo[5,4-b]pyridin-7-yl)propanoic acid.
What is the SMILES notation for 3-(4-methyl-6-oxo-1H-pyrazolo[5,4-b]pyridin-7-yl)propanoic acid?
The canonical SMILES for 3-(4-methyl-6-oxo-1H-pyrazolo[5,4-b]pyridin-7-yl)propanoic acid is Cc1cc(=O)n(CCC(=O)O)c2[nH]ncc12.
What is the InChIKey of 3-(4-methyl-6-oxo-1H-pyrazolo[5,4-b]pyridin-7-yl)propanoic acid?
The InChIKey is SDHJUBUFTHSBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-6-4-8(14)13(3-2-9(15)16)10-7(6)5-11-12-10/h4-5H,2-3H2,1H3,(H,11,12)(H,15,16).
What are the key properties of 3-(4-methyl-6-oxo-1H-pyrazolo[5,4-b]pyridin-7-yl)propanoic acid?
3-(4-methyl-6-oxo-1H-pyrazolo[5,4-b]pyridin-7-yl)propanoic acid has a molecular weight of 221.22 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-6-oxo-1H-pyrazolo[5,4-b]pyridin-7-yl)propanoic acid is sourced from PubChem (CID 84724755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).