3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane

C21H31N5O — CID 131649184

About 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane

3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 131649184) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

• Compound Name: 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
• PubChem CID: 131649184
• Molecular Formula: C21H31N5O
• Molecular Weight: 369.51 g/mol
• Exact Mass: 369.25
• IUPAC Name: 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
• SMILES: COCC1CC2(CCN(Cc3cnn(C)c3)CC2)CN1Cc1ccccn1
• InChI: InChI=1S/C21H31N5O/c1-24-13-18(12-23-24)14-25-9-6-21(7-10-25)11-20(16-27-2)26(17-21)15-19-5-3-4-8-22-19/h3-5,8,12-13,20H,6-7,9-11,14-17H2,1-2H3
• InChIKey: OQQBMHCZVQHOGJ-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.51
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?

The IUPAC name of 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane (CID 131649184) is 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane.

What is the SMILES notation for 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?

The canonical SMILES for 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane is COCC1CC2(CCN(Cc3cnn(C)c3)CC2)CN1Cc1ccccn1.

What is the InChIKey of 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?

The InChIKey is OQQBMHCZVQHOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-24-13-18(12-23-24)14-25-9-6-21(7-10-25)11-20(16-27-2)26(17-21)15-19-5-3-4-8-22-19/h3-5,8,12-13,20H,6-7,9-11,14-17H2,1-2H3.

What are the key properties of 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?

3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 369.51 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 131649184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).