4-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C21H12N8S — CID 171848125

About 4-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848125) has the molecular formula C21H12N8S and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 171848125
• Molecular Formula: C21H12N8S
• Molecular Weight: 408.45 g/mol
• Exact Mass: 408.09
• IUPAC Name: 4-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: N#Cc1ccccc1Sc1cc(-c2cnn(-c3cn[nH]c3)c2)cn2ncc(C#N)c12
• InChI: InChI=1S/C21H12N8S/c22-6-14-3-1-2-4-19(14)30-20-5-15(12-29-21(20)16(7-23)8-27-29)17-9-26-28(13-17)18-10-24-25-11-18/h1-5,8-13H,(H,24,25)
• InChIKey: BTRXUNZZFJAKSV-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 111.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.45
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848125) is 4-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1ccccc1Sc1cc(-c2cnn(-c3cn[nH]c3)c2)cn2ncc(C#N)c12.

What is the InChIKey of 4-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is BTRXUNZZFJAKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N8S/c22-6-14-3-1-2-4-19(14)30-20-5-15(12-29-21(20)16(7-23)8-27-29)17-9-26-28(13-17)18-10-24-25-11-18/h1-5,8-13H,(H,24,25).

What are the key properties of 4-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 408.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).