8-(furan-2-ylmethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C20H26N4O2 — CID 72846195

About 8-(furan-2-ylmethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

8-(furan-2-ylmethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72846195) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 8-(furan-2-ylmethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 8-(furan-2-ylmethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72846195
• Molecular Formula: C20H26N4O2
• Molecular Weight: 354.45 g/mol
• Exact Mass: 354.21
• IUPAC Name: 8-(furan-2-ylmethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cnc(CN2CC3(CCCN(Cc4ccco4)C3)CCC2=O)cn1
• InChI: InChI=1S/C20H26N4O2/c1-16-10-22-17(11-21-16)12-24-15-20(7-5-19(24)25)6-3-8-23(14-20)13-18-4-2-9-26-18/h2,4,9-11H,3,5-8,12-15H2,1H3
• InChIKey: YFLKEGKROQXDJU-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 62.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.45
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-ylmethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 8-(furan-2-ylmethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 72846195) is 8-(furan-2-ylmethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 8-(furan-2-ylmethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 8-(furan-2-ylmethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2CC3(CCCN(Cc4ccco4)C3)CCC2=O)cn1.

What is the InChIKey of 8-(furan-2-ylmethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is YFLKEGKROQXDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-16-10-22-17(11-21-16)12-24-15-20(7-5-19(24)25)6-3-8-23(14-20)13-18-4-2-9-26-18/h2,4,9-11H,3,5-8,12-15H2,1H3.

What are the key properties of 8-(furan-2-ylmethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

8-(furan-2-ylmethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 354.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(furan-2-ylmethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72846195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).