(6S)-2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C20H28N4O — CID 95861391

About (6S)-2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95861391) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (6S)-2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6S)-2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 95861391
• Molecular Formula: C20H28N4O
• Molecular Weight: 340.47 g/mol
• Exact Mass: 340.23
• IUPAC Name: (6S)-2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: CCN1C[C@@]2(CCCN(Cc3cn4cccc(C)c4n3)C2)CCC1=O
• InChI: InChI=1S/C20H28N4O/c1-3-23-15-20(9-7-18(23)25)8-5-10-22(14-20)12-17-13-24-11-4-6-16(2)19(24)21-17/h4,6,11,13H,3,5,7-10,12,14-15H2,1-2H3/t20-/m0/s1
• InChIKey: JWPXUBBHTXPFAY-FQEVSTJZSA-N
• XLogP: 2.87
• TPSA: 40.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.47
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6S)-2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6S)-2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 95861391) is (6S)-2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6S)-2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6S)-2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is CCN1C[C@@]2(CCCN(Cc3cn4cccc(C)c4n3)C2)CCC1=O.

What is the InChIKey of (6S)-2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is JWPXUBBHTXPFAY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H28N4O/c1-3-23-15-20(9-7-18(23)25)8-5-10-22(14-20)12-17-13-24-11-4-6-16(2)19(24)21-17/h4,6,11,13H,3,5,7-10,12,14-15H2,1-2H3/t20-/m0/s1.

What are the key properties of (6S)-2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

(6S)-2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 340.47 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95861391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).