furan-2-yl-[3-(6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone

C20H18N4O2S — CID 131669031

About furan-2-yl-[3-(6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone

furan-2-yl-[3-(6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 131669031) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is furan-2-yl-[3-(6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: furan-2-yl-[3-(6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone
• PubChem CID: 131669031
• Molecular Formula: C20H18N4O2S
• Molecular Weight: 378.46 g/mol
• Exact Mass: 378.12
• IUPAC Name: furan-2-yl-[3-(6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone
• SMILES: O=C(c1ccco1)N1CCCC(c2nc3ccc(-c4cccs4)cn3n2)C1
• InChI: InChI=1S/C20H18N4O2S/c25-20(16-5-2-10-26-16)23-9-1-4-15(12-23)19-21-18-8-7-14(13-24(18)22-19)17-6-3-11-27-17/h2-3,5-8,10-11,13,15H,1,4,9,12H2
• InChIKey: QMXJXHNVLQXPHC-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 63.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.46
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-(6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone?

The IUPAC name of furan-2-yl-[3-(6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone (CID 131669031) is furan-2-yl-[3-(6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for furan-2-yl-[3-(6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for furan-2-yl-[3-(6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone is O=C(c1ccco1)N1CCCC(c2nc3ccc(-c4cccs4)cn3n2)C1.

What is the InChIKey of furan-2-yl-[3-(6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone?

The InChIKey is QMXJXHNVLQXPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c25-20(16-5-2-10-26-16)23-9-1-4-15(12-23)19-21-18-8-7-14(13-24(18)22-19)17-6-3-11-27-17/h2-3,5-8,10-11,13,15H,1,4,9,12H2.

What are the key properties of furan-2-yl-[3-(6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone?

furan-2-yl-[3-(6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 378.46 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for furan-2-yl-[3-(6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 131669031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).