9-(3,6-dimethylpyrazin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one

C20H31N5O — CID 72897842

About 9-(3,6-dimethylpyrazin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one

9-(3,6-dimethylpyrazin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72897842) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 9-(3,6-dimethylpyrazin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-(3,6-dimethylpyrazin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72897842
• Molecular Formula: C20H31N5O
• Molecular Weight: 357.50 g/mol
• Exact Mass: 357.25
• IUPAC Name: 9-(3,6-dimethylpyrazin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cnc(C)c(N2CCC3(CCC(=O)N(C4CCN(C)C4)C3)CC2)n1
• InChI: InChI=1S/C20H31N5O/c1-15-12-21-16(2)19(22-15)24-10-7-20(8-11-24)6-4-18(26)25(14-20)17-5-9-23(3)13-17/h12,17H,4-11,13-14H2,1-3H3
• InChIKey: ACWRZMMBNWIZJS-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 52.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.50
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(3,6-dimethylpyrazin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-(3,6-dimethylpyrazin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72897842) is 9-(3,6-dimethylpyrazin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-(3,6-dimethylpyrazin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-(3,6-dimethylpyrazin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cnc(C)c(N2CCC3(CCC(=O)N(C4CCN(C)C4)C3)CC2)n1.

What is the InChIKey of 9-(3,6-dimethylpyrazin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is ACWRZMMBNWIZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-15-12-21-16(2)19(22-15)24-10-7-20(8-11-24)6-4-18(26)25(14-20)17-5-9-23(3)13-17/h12,17H,4-11,13-14H2,1-3H3.

What are the key properties of 9-(3,6-dimethylpyrazin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one?

9-(3,6-dimethylpyrazin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 357.50 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,6-dimethylpyrazin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72897842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).