3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

C16H19ClN6 — CID 124750094

About 3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 124750094) has the molecular formula C16H19ClN6 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 124750094
• Molecular Formula: C16H19ClN6
• Molecular Weight: 330.82 g/mol
• Exact Mass: 330.14
• IUPAC Name: 3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: Clc1cnn(CCN2CCC[C@H](c3nnc4ccccn34)C2)c1
• InChI: InChI=1S/C16H19ClN6/c17-14-10-18-22(12-14)9-8-21-6-3-4-13(11-21)16-20-19-15-5-1-2-7-23(15)16/h1-2,5,7,10,12-13H,3-4,6,8-9,11H2/t13-/m0/s1
• InChIKey: CDBMEHZIHKXUOX-ZDUSSCGKSA-N
• XLogP: 2.46
• TPSA: 51.25 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.82
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 124750094) is 3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is Clc1cnn(CCN2CCC[C@H](c3nnc4ccccn34)C2)c1.

What is the InChIKey of 3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is CDBMEHZIHKXUOX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19ClN6/c17-14-10-18-22(12-14)9-8-21-6-3-4-13(11-21)16-20-19-15-5-1-2-7-23(15)16/h1-2,5,7,10,12-13H,3-4,6,8-9,11H2/t13-/m0/s1.

What are the key properties of 3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?

3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 330.82 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 124750094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).