3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine

C20H24N4OS — CID 99956248

About 3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 99956248) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 99956248
• Molecular Formula: C20H24N4OS
• Molecular Weight: 368.51 g/mol
• Exact Mass: 368.17
• IUPAC Name: 3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: c1ccn2c(C3CCN(Cc4ccc([C@@H]5CCCO5)s4)CC3)nnc2c1
• InChI: InChI=1S/C20H24N4OS/c1-2-10-24-19(5-1)21-22-20(24)15-8-11-23(12-9-15)14-16-6-7-18(26-16)17-4-3-13-25-17/h1-2,5-7,10,15,17H,3-4,8-9,11-14H2/t17-/m0/s1
• InChIKey: LGLLOUPYMZRNOW-KRWDZBQOSA-N
• XLogP: 4.02
• TPSA: 42.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.51
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 99956248) is 3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine.

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

The canonical SMILES for 3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine is c1ccn2c(C3CCN(Cc4ccc([C@@H]5CCCO5)s4)CC3)nnc2c1.

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

The InChIKey is LGLLOUPYMZRNOW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-2-10-24-19(5-1)21-22-20(24)15-8-11-23(12-9-15)14-16-6-7-18(26-16)17-4-3-13-25-17/h1-2,5-7,10,15,17H,3-4,8-9,11-14H2/t17-/m0/s1.

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

3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 368.51 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 99956248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).