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

C23H22N4O3 — CID 131671421

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

furan-3-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone (PubChem CID 131671421) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is furan-3-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: furan-3-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 131671421
• Molecular Formula: C23H22N4O3
• Molecular Weight: 402.45 g/mol
• Exact Mass: 402.17
• IUPAC Name: furan-3-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)c5ccoc5)C4)nn3c2)c1
• InChI: InChI=1S/C23H22N4O3/c1-29-20-6-2-4-16(12-20)17-7-8-21-24-22(25-27(21)14-17)18-5-3-10-26(13-18)23(28)19-9-11-30-15-19/h2,4,6-9,11-12,14-15,18H,3,5,10,13H2,1H3
• InChIKey: KMMSGFKWVSUIEJ-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-3-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone?

The IUPAC name of furan-3-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone (CID 131671421) is furan-3-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-3-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for furan-3-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)c5ccoc5)C4)nn3c2)c1.

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

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

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

furan-3-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-3-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 131671421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).