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

C16H9ClN6S — CID 171848371

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

4-[(6-chloro-2-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848371) has the molecular formula C16H9ClN6S and a molecular weight of 352.81 g/mol. Its IUPAC name is 4-[(6-chloro-2-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[(6-chloro-2-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 171848371
• Molecular Formula: C16H9ClN6S
• Molecular Weight: 352.81 g/mol
• Exact Mass: 352.03
• IUPAC Name: 4-[(6-chloro-2-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: N#Cc1cnn2cc(-c3cn[nH]c3)cc(Sc3cccc(Cl)n3)c12
• InChI: InChI=1S/C16H9ClN6S/c17-14-2-1-3-15(22-14)24-13-4-10(12-6-19-20-7-12)9-23-16(13)11(5-18)8-21-23/h1-4,6-9H,(H,19,20)
• InChIKey: OVVDHMJEJZMHDH-UHFFFAOYSA-N
• XLogP: 3.80
• 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	352.81
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-[(6-chloro-2-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848371) is 4-[(6-chloro-2-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 4-[(6-chloro-2-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(-c3cn[nH]c3)cc(Sc3cccc(Cl)n3)c12.

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

The InChIKey is OVVDHMJEJZMHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN6S/c17-14-2-1-3-15(22-14)24-13-4-10(12-6-19-20-7-12)9-23-16(13)11(5-18)8-21-23/h1-4,6-9H,(H,19,20).

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

4-[(6-chloro-2-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 352.81 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(6-chloro-2-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).