2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid

C16H12N4O3S — CID 154690833

IUPAC2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1noc(C)c1-c1cnn2ccc(-c3ncc(C(=O)O)s3)cc12
InChIInChI=1S/C16H12N4O3S/c1-8-14(9(2)23-19-8)11-6-18-20-4-3-10(5-12(11)20)15-17-7-13(24-15)16(21)22/h3-7H,1-2H3,(H,21,22)
InChIKeyZOUWUPXTFYRAPC-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.43
Rot. Bonds3

About 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid

2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 154690833) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID154690833
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC Name2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1noc(C)c1-c1cnn2ccc(-c3ncc(C(=O)O)s3)cc12
InChIInChI=1S/C16H12N4O3S/c1-8-14(9(2)23-19-8)11-6-18-20-4-3-10(5-12(11)20)15-17-7-13(24-15)16(21)22/h3-7H,1-2H3,(H,21,22)
InChIKeyZOUWUPXTFYRAPC-UHFFFAOYSA-N
XLogP3.43
TPSA93.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid (CID 154690833) is 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid is Cc1noc(C)c1-c1cnn2ccc(-c3ncc(C(=O)O)s3)cc12.
What is the InChIKey of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZOUWUPXTFYRAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S/c1-8-14(9(2)23-19-8)11-6-18-20-4-3-10(5-12(11)20)15-17-7-13(24-15)16(21)22/h3-7H,1-2H3,(H,21,22).
What are the key properties of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 340.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 154690833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).