2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone

C24H24N4O2 — CID 42885973

About 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone (PubChem CID 42885973) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
• PubChem CID: 42885973
• Molecular Formula: C24H24N4O2
• Molecular Weight: 400.48 g/mol
• Exact Mass: 400.19
• IUPAC Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
• SMILES: O=C(Cc1coc2cc3c(cc12)CCC3)N1CCCC(c2nnc3ccccn23)C1
• InChI: InChI=1S/C24H24N4O2/c29-23(13-19-15-30-21-12-17-6-3-5-16(17)11-20(19)21)27-9-4-7-18(14-27)24-26-25-22-8-1-2-10-28(22)24/h1-2,8,10-12,15,18H,3-7,9,13-14H2
• InChIKey: OGLMZTYIBPPGNN-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 63.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.48
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?

The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone (CID 42885973) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?

The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone is O=C(Cc1coc2cc3c(cc12)CCC3)N1CCCC(c2nnc3ccccn23)C1.

What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?

The InChIKey is OGLMZTYIBPPGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-23(13-19-15-30-21-12-17-6-3-5-16(17)11-20(19)21)27-9-4-7-18(14-27)24-26-25-22-8-1-2-10-28(22)24/h1-2,8,10-12,15,18H,3-7,9,13-14H2.

What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 400.48 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 42885973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).