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

C16H14N6O2 — CID 175708996

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

3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxylic acid (PubChem CID 175708996) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxylic acid
• PubChem CID: 175708996
• Molecular Formula: C16H14N6O2
• Molecular Weight: 322.33 g/mol
• Exact Mass: 322.12
• IUPAC Name: 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxylic acid
• SMILES: Cn1cc(-c2cc(C3CN(C(=O)O)C3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C16H14N6O2/c1-20-6-12(5-18-20)10-2-14(13-7-21(8-13)16(23)24)15-11(3-17)4-19-22(15)9-10/h2,4-6,9,13H,7-8H2,1H3,(H,23,24)
• InChIKey: KIOWIBCCAFBFCN-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 99.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.33
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxylic acid (CID 175708996) is 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxylic acid.

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

The canonical SMILES for 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxylic acid is Cn1cc(-c2cc(C3CN(C(=O)O)C3)c3c(C#N)cnn3c2)cn1.

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

The InChIKey is KIOWIBCCAFBFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-20-6-12(5-18-20)10-2-14(13-7-21(8-13)16(23)24)15-11(3-17)4-19-22(15)9-10/h2,4-6,9,13H,7-8H2,1H3,(H,23,24).

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

3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxylic acid has a molecular weight of 322.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxylic acid is sourced from PubChem (CID 175708996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).