9-(3-methylpyrazin-2-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

C19H28N4O2 — CID 97139206

About 9-(3-methylpyrazin-2-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

9-(3-methylpyrazin-2-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97139206) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 9-(3-methylpyrazin-2-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-(3-methylpyrazin-2-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97139206
• Molecular Formula: C19H28N4O2
• Molecular Weight: 344.46 g/mol
• Exact Mass: 344.22
• IUPAC Name: 9-(3-methylpyrazin-2-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1nccnc1N1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1
• InChI: InChI=1S/C19H28N4O2/c1-15-18(21-9-8-20-15)22-10-6-19(7-11-22)5-4-17(24)23(14-19)13-16-3-2-12-25-16/h8-9,16H,2-7,10-14H2,1H3/t16-/m1/s1
• InChIKey: SXFOCPSDWLKXFG-MRXNPFEDSA-N
• XLogP: 2.17
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.46
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylpyrazin-2-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-(3-methylpyrazin-2-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97139206) is 9-(3-methylpyrazin-2-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-(3-methylpyrazin-2-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-(3-methylpyrazin-2-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1nccnc1N1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1.

What is the InChIKey of 9-(3-methylpyrazin-2-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is SXFOCPSDWLKXFG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15-18(21-9-8-20-15)22-10-6-19(7-11-22)5-4-17(24)23(14-19)13-16-3-2-12-25-16/h8-9,16H,2-7,10-14H2,1H3/t16-/m1/s1.

What are the key properties of 9-(3-methylpyrazin-2-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?

9-(3-methylpyrazin-2-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 344.46 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-methylpyrazin-2-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97139206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).