(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane

C20H26N4O2 — CID 124913089

About (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane

(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124913089) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 124913089
• Molecular Formula: C20H26N4O2
• Molecular Weight: 354.45 g/mol
• Exact Mass: 354.21
• IUPAC Name: (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
• SMILES: Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(Cc2cccnc2)C3)n1
• InChI: InChI=1S/C20H26N4O2/c1-16-10-22-12-19(23-16)25-7-4-17-5-8-26-20(9-17)14-24(15-20)13-18-3-2-6-21-11-18/h2-3,6,10-12,17H,4-5,7-9,13-15H2,1H3/t17-/m1/s1
• InChIKey: DECHZAYZZJHSLO-QGZVFWFLSA-N
• XLogP: 2.63
• TPSA: 60.37 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.45
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane (CID 124913089) is (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane.

What is the SMILES notation for (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?

The canonical SMILES for (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane is Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(Cc2cccnc2)C3)n1.

What is the InChIKey of (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?

The InChIKey is DECHZAYZZJHSLO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-16-10-22-12-19(23-16)25-7-4-17-5-8-26-20(9-17)14-24(15-20)13-18-3-2-6-21-11-18/h2-3,6,10-12,17H,4-5,7-9,13-15H2,1H3/t17-/m1/s1.

What are the key properties of (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?

(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 354.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124913089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).