9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

C22H31N5O — CID 70758505

About 9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70758505) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 70758505
• Molecular Formula: C22H31N5O
• Molecular Weight: 381.52 g/mol
• Exact Mass: 381.25
• IUPAC Name: 9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: CCc1ccc(CN2CCC3(CCC(=O)N(CCc4cnc[nH]4)C3)CC2)nc1
• InChI: InChI=1S/C22H31N5O/c1-2-18-3-4-20(24-13-18)15-26-11-8-22(9-12-26)7-5-21(28)27(16-22)10-6-19-14-23-17-25-19/h3-4,13-14,17H,2,5-12,15-16H2,1H3,(H,23,25)
• InChIKey: TVGLVXCSLJGUMN-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.52
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70758505) is 9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is CCc1ccc(CN2CCC3(CCC(=O)N(CCc4cnc[nH]4)C3)CC2)nc1.

What is the InChIKey of 9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is TVGLVXCSLJGUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-2-18-3-4-20(24-13-18)15-26-11-8-22(9-12-26)7-5-21(28)27(16-22)10-6-19-14-23-17-25-19/h3-4,13-14,17H,2,5-12,15-16H2,1H3,(H,23,25).

What are the key properties of 9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?

9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 381.52 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70758505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).