5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid

C19H14N2O2S — CID 58094953

IUPAC5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid
SMILESCc1nn2ccccc2c1-c1cc(-c2ccccc2)c(C(=O)O)s1
InChIInChI=1S/C19H14N2O2S/c1-12-17(15-9-5-6-10-21(15)20-12)16-11-14(18(24-16)19(22)23)13-7-3-2-4-8-13/h2-11H,1H3,(H,22,23)
InChIKeyDBYWZVLQVTXGPH-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.74
Rot. Bonds3

About 5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid

5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid (PubChem CID 58094953) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid
PubChem CID58094953
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid
SMILESCc1nn2ccccc2c1-c1cc(-c2ccccc2)c(C(=O)O)s1
InChIInChI=1S/C19H14N2O2S/c1-12-17(15-9-5-6-10-21(15)20-12)16-11-14(18(24-16)19(22)23)13-7-3-2-4-8-13/h2-11H,1H3,(H,22,23)
InChIKeyDBYWZVLQVTXGPH-UHFFFAOYSA-N
XLogP4.74
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid?
The IUPAC name of 5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid (CID 58094953) is 5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid is Cc1nn2ccccc2c1-c1cc(-c2ccccc2)c(C(=O)O)s1.
What is the InChIKey of 5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid?
The InChIKey is DBYWZVLQVTXGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-12-17(15-9-5-6-10-21(15)20-12)16-11-14(18(24-16)19(22)23)13-7-3-2-4-8-13/h2-11H,1H3,(H,22,23).
What are the key properties of 5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid?
5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid has a molecular weight of 334.40 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid is sourced from PubChem (CID 58094953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).