11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C19H25N5O — CID 131659145

About 11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 131659145) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

• Compound Name: 11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
• PubChem CID: 131659145
• Molecular Formula: C19H25N5O
• Molecular Weight: 339.44 g/mol
• Exact Mass: 339.21
• IUPAC Name: 11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
• SMILES: c1ccc(CN2CCCC3(COCCN(c4cnccn4)C3)C2)nc1
• InChI: InChI=1S/C19H25N5O/c1-2-6-21-17(4-1)13-23-9-3-5-19(14-23)15-24(10-11-25-16-19)18-12-20-7-8-22-18/h1-2,4,6-8,12H,3,5,9-11,13-16H2
• InChIKey: RYGMTSDAGPYEOW-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 54.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.44
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?

The IUPAC name of 11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 131659145) is 11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

What is the SMILES notation for 11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?

The canonical SMILES for 11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is c1ccc(CN2CCCC3(COCCN(c4cnccn4)C3)C2)nc1.

What is the InChIKey of 11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?

The InChIKey is RYGMTSDAGPYEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-6-21-17(4-1)13-23-9-3-5-19(14-23)15-24(10-11-25-16-19)18-12-20-7-8-22-18/h1-2,4,6-8,12H,3,5,9-11,13-16H2.

What are the key properties of 11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?

11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 339.44 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 131659145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).