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

C19H15N3O2S — CID 66854791

IUPAC4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nn2ccccc2c1-c1nc(Cc2ccccc2)c(C(=O)O)s1
InChIInChI=1S/C19H15N3O2S/c1-12-16(15-9-5-6-10-22(15)21-12)18-20-14(17(25-18)19(23)24)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,23,24)
InChIKeyAUMSVBAKAGCTFC-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.06
Rot. Bonds4

About 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid

4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 66854791) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID66854791
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nn2ccccc2c1-c1nc(Cc2ccccc2)c(C(=O)O)s1
InChIInChI=1S/C19H15N3O2S/c1-12-16(15-9-5-6-10-22(15)21-12)18-20-14(17(25-18)19(23)24)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,23,24)
InChIKeyAUMSVBAKAGCTFC-UHFFFAOYSA-N
XLogP4.06
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid (CID 66854791) is 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid is Cc1nn2ccccc2c1-c1nc(Cc2ccccc2)c(C(=O)O)s1.
What is the InChIKey of 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is AUMSVBAKAGCTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-12-16(15-9-5-6-10-22(15)21-12)18-20-14(17(25-18)19(23)24)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,23,24).
What are the key properties of 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid?
4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 349.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 66854791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).