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

C13H8F2N2O2S — CID 58385984

IUPAC5-(difluoromethyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cnn3ccccc23)c(C(F)F)s1
InChIInChI=1S/C13H8F2N2O2S/c14-12(15)11-7(5-10(20-11)13(18)19)8-6-16-17-4-2-1-3-9(8)17/h1-6,12H,(H,18,19)
InChIKeyCRCONRIDYSEPEX-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.70
Rot. Bonds3

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

5-(difluoromethyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid (PubChem CID 58385984) has the molecular formula C13H8F2N2O2S and a molecular weight of 294.28 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid
PubChem CID58385984
Molecular FormulaC13H8F2N2O2S
Molecular Weight294.28 g/mol
Exact Mass294.03
IUPAC Name5-(difluoromethyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cnn3ccccc23)c(C(F)F)s1
InChIInChI=1S/C13H8F2N2O2S/c14-12(15)11-7(5-10(20-11)13(18)19)8-6-16-17-4-2-1-3-9(8)17/h1-6,12H,(H,18,19)
InChIKeyCRCONRIDYSEPEX-UHFFFAOYSA-N
XLogP3.70
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid (CID 58385984) is 5-(difluoromethyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid is O=C(O)c1cc(-c2cnn3ccccc23)c(C(F)F)s1.
What is the InChIKey of 5-(difluoromethyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid?
The InChIKey is CRCONRIDYSEPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S/c14-12(15)11-7(5-10(20-11)13(18)19)8-6-16-17-4-2-1-3-9(8)17/h1-6,12H,(H,18,19).
What are the key properties of 5-(difluoromethyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid?
5-(difluoromethyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid has a molecular weight of 294.28 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 58385984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).