5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid

C₁₅H₉N₇O₂S — CID 162752793

About 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid

5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid (PubChem CID 162752793) has the molecular formula C₁₅H₉N₇O₂S and a molecular weight of 351.35 g/mol. Its IUPAC name is 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid
• PubChem CID: 162752793
• Molecular Formula: C₁₅H₉N₇O₂S
• Molecular Weight: 351.35 g/mol
• Exact Mass: 351.05
• IUPAC Name: 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid
• SMILES: Cn1cc(-c2cc(-c3nnc(C(=O)O)s3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C15H9N7O2S/c1-21-6-10(5-17-21)8-2-11(13-19-20-14(25-13)15(23)24)12-9(3-16)4-18-22(12)7-8/h2,4-7H,1H3,(H,23,24)
• InChIKey: WWPCLESYLCTEDM-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 121.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.35
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid?

The IUPAC name of 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid (CID 162752793) is 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid.

What is the SMILES notation for 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid?

The canonical SMILES for 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid is Cn1cc(-c2cc(-c3nnc(C(=O)O)s3)c3c(C#N)cnn3c2)cn1.

What is the InChIKey of 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid?

The InChIKey is WWPCLESYLCTEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N7O2S/c1-21-6-10(5-17-21)8-2-11(13-19-20-14(25-13)15(23)24)12-9(3-16)4-18-22(12)7-8/h2,4-7H,1H3,(H,23,24).

What are the key properties of 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid?

5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid has a molecular weight of 351.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid is sourced from PubChem (CID 162752793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162752793 — identifiers, structure, computed properties (public domain)

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