3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C12H11N3O3S — CID 103116447

IUPAC3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cnn2ccccc12
InChIInChI=1S/C12H11N3O3S/c16-11(14-7-19-6-10(14)12(17)18)8-5-13-15-4-2-1-3-9(8)15/h1-5,10H,6-7H2,(H,17,18)
InChIKeySHEJFQMCKIZEME-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.93
Rot. Bonds2

About 3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 103116447) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID103116447
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cnn2ccccc12
InChIInChI=1S/C12H11N3O3S/c16-11(14-7-19-6-10(14)12(17)18)8-5-13-15-4-2-1-3-9(8)15/h1-5,10H,6-7H2,(H,17,18)
InChIKeySHEJFQMCKIZEME-UHFFFAOYSA-N
XLogP0.93
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116405
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-methyl-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103117258
3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43209977
3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359231
[2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103122402
3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 13375478
methyl (2R,4S)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate
CID 50961369
methyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate
CID 133115252
[2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
CID 119631215
7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 103116928
(2-methylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
CID 119470274

Frequently Asked Questions

What is the IUPAC name of 3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 103116447) is 3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)c1cnn2ccccc12.
What is the InChIKey of 3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SHEJFQMCKIZEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c16-11(14-7-19-6-10(14)12(17)18)8-5-13-15-4-2-1-3-9(8)15/h1-5,10H,6-7H2,(H,17,18).
What are the key properties of 3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 277.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 103116447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).