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

C23H22N4O3 — CID 131668923

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

furan-2-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone (PubChem CID 131668923) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is furan-2-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: furan-2-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 131668923
• Molecular Formula: C23H22N4O3
• Molecular Weight: 402.45 g/mol
• Exact Mass: 402.17
• IUPAC Name: furan-2-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone
• SMILES: COc1cccc(-c2ccc3nc(C4CCCN(C(=O)c5ccco5)C4)nn3c2)c1
• InChI: InChI=1S/C23H22N4O3/c1-29-19-7-2-5-16(13-19)17-9-10-21-24-22(25-27(21)15-17)18-6-3-11-26(14-18)23(28)20-8-4-12-30-20/h2,4-5,7-10,12-13,15,18H,3,6,11,14H2,1H3
• InChIKey: DQYTVCRGEKDRJV-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 72.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.45
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of furan-2-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone (CID 131668923) is furan-2-yl-[3-[6-(3-methoxyphenyl)-[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-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for furan-2-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone is COc1cccc(-c2ccc3nc(C4CCCN(C(=O)c5ccco5)C4)nn3c2)c1.

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

The InChIKey is DQYTVCRGEKDRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-29-19-7-2-5-16(13-19)17-9-10-21-24-22(25-27(21)15-17)18-6-3-11-26(14-18)23(28)20-8-4-12-30-20/h2,4-5,7-10,12-13,15,18H,3,6,11,14H2,1H3.

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

furan-2-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone has a molecular weight of 402.45 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 furan-2-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 131668923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).