5-(1-fluoropropyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid

C15H13FN2O2S — CID 90858768

IUPAC5-(1-fluoropropyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid
SMILESCCC(F)c1sc(C(=O)O)cc1-c1cnn2ccccc12
InChIInChI=1S/C15H13FN2O2S/c1-2-11(16)14-9(7-13(21-14)15(19)20)10-8-17-18-6-4-3-5-12(10)18/h3-8,11H,2H2,1H3,(H,19,20)
InChIKeyXNQOTAHSZPQAMZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.18
Rot. Bonds4

About 5-(1-fluoropropyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid

5-(1-fluoropropyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid (PubChem CID 90858768) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-(1-fluoropropyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-fluoropropyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid
PubChem CID90858768
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name5-(1-fluoropropyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid
SMILESCCC(F)c1sc(C(=O)O)cc1-c1cnn2ccccc12
InChIInChI=1S/C15H13FN2O2S/c1-2-11(16)14-9(7-13(21-14)15(19)20)10-8-17-18-6-4-3-5-12(10)18/h3-8,11H,2H2,1H3,(H,19,20)
InChIKeyXNQOTAHSZPQAMZ-UHFFFAOYSA-N
XLogP4.18
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoropropyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid?
The IUPAC name of 5-(1-fluoropropyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid (CID 90858768) is 5-(1-fluoropropyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(1-fluoropropyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(1-fluoropropyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid is CCC(F)c1sc(C(=O)O)cc1-c1cnn2ccccc12.
What is the InChIKey of 5-(1-fluoropropyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid?
The InChIKey is XNQOTAHSZPQAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-2-11(16)14-9(7-13(21-14)15(19)20)10-8-17-18-6-4-3-5-12(10)18/h3-8,11H,2H2,1H3,(H,19,20).
What are the key properties of 5-(1-fluoropropyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid?
5-(1-fluoropropyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoropropyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 90858768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).