2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane

C20H29N5O2 — CID 131661480

About 2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane

2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 131661480) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: 2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 131661480
• Molecular Formula: C20H29N5O2
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.23
• IUPAC Name: 2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
• SMILES: CCn1cc(CN2CC3(CC(CCOc4nccc(C)n4)CCO3)C2)cn1
• InChI: InChI=1S/C20H29N5O2/c1-3-25-13-18(11-22-25)12-24-14-20(15-24)10-17(6-9-27-20)5-8-26-19-21-7-4-16(2)23-19/h4,7,11,13,17H,3,5-6,8-10,12,14-15H2,1-2H3
• InChIKey: XASWVVAXFBPXQQ-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 65.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane (CID 131661480) is 2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane.

What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?

The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane is CCn1cc(CN2CC3(CC(CCOc4nccc(C)n4)CCO3)C2)cn1.

What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?

The InChIKey is XASWVVAXFBPXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-3-25-13-18(11-22-25)12-24-14-20(15-24)10-17(6-9-27-20)5-8-26-19-21-7-4-16(2)23-19/h4,7,11,13,17H,3,5-6,8-10,12,14-15H2,1-2H3.

What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?

2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 371.49 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 131661480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).