3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

C19H26N6 — CID 99942074

About 3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 99942074) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 99942074
• Molecular Formula: C19H26N6
• Molecular Weight: 338.46 g/mol
• Exact Mass: 338.22
• IUPAC Name: 3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: CC(C)(C)c1cc(CN2CCC[C@H](c3nnc4ccccn34)C2)[nH]n1
• InChI: InChI=1S/C19H26N6/c1-19(2,3)16-11-15(20-21-16)13-24-9-6-7-14(12-24)18-23-22-17-8-4-5-10-25(17)18/h4-5,8,10-11,14H,6-7,9,12-13H2,1-3H3,(H,20,21)/t14-/m0/s1
• InChIKey: OILNPULZSGFVEJ-AWEZNQCLSA-N
• XLogP: 3.13
• TPSA: 62.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.46
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 99942074) is 3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is CC(C)(C)c1cc(CN2CCC[C@H](c3nnc4ccccn34)C2)[nH]n1.

What is the InChIKey of 3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is OILNPULZSGFVEJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N6/c1-19(2,3)16-11-15(20-21-16)13-24-9-6-7-14(12-24)18-23-22-17-8-4-5-10-25(17)18/h4-5,8,10-11,14H,6-7,9,12-13H2,1-3H3,(H,20,21)/t14-/m0/s1.

What are the key properties of 3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?

3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 338.46 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 99942074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).