4-[(4-methyl-3-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C17H12N6S — CID 171847960

About 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[(4-methyl-3-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847960) has the molecular formula C17H12N6S and a molecular weight of 332.39 g/mol. Its IUPAC name is 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 171847960
• Molecular Formula: C17H12N6S
• Molecular Weight: 332.39 g/mol
• Exact Mass: 332.08
• IUPAC Name: 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1ccncc1Sc1cc(-c2cn[nH]c2)cn2ncc(C#N)c12
• InChI: InChI=1S/C17H12N6S/c1-11-2-3-19-9-16(11)24-15-4-12(14-6-20-21-7-14)10-23-17(15)13(5-18)8-22-23/h2-4,6-10H,1H3,(H,20,21)
• InChIKey: OESLJETUGXTKDQ-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 82.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.39
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847960) is 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1ccncc1Sc1cc(-c2cn[nH]c2)cn2ncc(C#N)c12.

What is the InChIKey of 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is OESLJETUGXTKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6S/c1-11-2-3-19-9-16(11)24-15-4-12(14-6-20-21-7-14)10-23-17(15)13(5-18)8-22-23/h2-4,6-10H,1H3,(H,20,21).

What are the key properties of 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[(4-methyl-3-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 332.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).