(6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C22H29N5O — CID 97119844

About (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97119844) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97119844
• Molecular Formula: C22H29N5O
• Molecular Weight: 379.51 g/mol
• Exact Mass: 379.24
• IUPAC Name: (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cnc(CN2C[C@@]3(CCCN(Cc4cccc(C)n4)C3)CCC2=O)cn1
• InChI: InChI=1S/C22H29N5O/c1-17-5-3-6-19(25-17)13-26-10-4-8-22(15-26)9-7-21(28)27(16-22)14-20-12-23-18(2)11-24-20/h3,5-6,11-12H,4,7-10,13-16H2,1-2H3/t22-/m0/s1
• InChIKey: YKYVAQJUJFWELP-QFIPXVFZSA-N
• XLogP: 2.89
• TPSA: 62.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.51
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 97119844) is (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2C[C@@]3(CCCN(Cc4cccc(C)n4)C3)CCC2=O)cn1.

What is the InChIKey of (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is YKYVAQJUJFWELP-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17-5-3-6-19(25-17)13-26-10-4-8-22(15-26)9-7-21(28)27(16-22)14-20-12-23-18(2)11-24-20/h3,5-6,11-12H,4,7-10,13-16H2,1-2H3/t22-/m0/s1.

What are the key properties of (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

(6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 379.51 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97119844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).