8-[(1-ethylpyrazol-4-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C21H30N6O — CID 72920947

About 8-[(1-ethylpyrazol-4-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

8-[(1-ethylpyrazol-4-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72920947) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 8-[(1-ethylpyrazol-4-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 8-[(1-ethylpyrazol-4-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72920947
• Molecular Formula: C21H30N6O
• Molecular Weight: 382.51 g/mol
• Exact Mass: 382.25
• IUPAC Name: 8-[(1-ethylpyrazol-4-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: CCn1cc(CN2CCCC3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)cn1
• InChI: InChI=1S/C21H30N6O/c1-3-27-13-18(10-24-27)12-25-8-4-6-21(15-25)7-5-20(28)26(16-21)14-19-11-22-17(2)9-23-19/h9-11,13H,3-8,12,14-16H2,1-2H3
• InChIKey: VYMFRBXRZZPPRY-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.51
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[(1-ethylpyrazol-4-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 8-[(1-ethylpyrazol-4-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 72920947) is 8-[(1-ethylpyrazol-4-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 8-[(1-ethylpyrazol-4-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 8-[(1-ethylpyrazol-4-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is CCn1cc(CN2CCCC3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)cn1.

What is the InChIKey of 8-[(1-ethylpyrazol-4-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is VYMFRBXRZZPPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-3-27-13-18(10-24-27)12-25-8-4-6-21(15-25)7-5-20(28)26(16-21)14-19-11-22-17(2)9-23-19/h9-11,13H,3-8,12,14-16H2,1-2H3.

What are the key properties of 8-[(1-ethylpyrazol-4-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

8-[(1-ethylpyrazol-4-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 382.51 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(1-ethylpyrazol-4-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72920947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).