[1-(2-methoxyethyl)pyrazol-3-yl]-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone

C19H24N4O4 — CID 131692536

About [1-(2-methoxyethyl)pyrazol-3-yl]-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone

[1-(2-methoxyethyl)pyrazol-3-yl]-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone (PubChem CID 131692536) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is [1-(2-methoxyethyl)pyrazol-3-yl]-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone.

Molecular Properties

• Compound Name: [1-(2-methoxyethyl)pyrazol-3-yl]-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
• PubChem CID: 131692536
• Molecular Formula: C19H24N4O4
• Molecular Weight: 372.43 g/mol
• Exact Mass: 372.18
• IUPAC Name: [1-(2-methoxyethyl)pyrazol-3-yl]-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
• SMILES: COCCn1ccc(C(=O)N2CC3(CC(Oc4ccccn4)CCO3)C2)n1
• InChI: InChI=1S/C19H24N4O4/c1-25-11-9-23-8-5-16(21-23)18(24)22-13-19(14-22)12-15(6-10-26-19)27-17-4-2-3-7-20-17/h2-5,7-8,15H,6,9-14H2,1H3
• InChIKey: CUHJWUKIRVTQBU-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 78.71 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.43
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)pyrazol-3-yl]-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?

The IUPAC name of [1-(2-methoxyethyl)pyrazol-3-yl]-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone (CID 131692536) is [1-(2-methoxyethyl)pyrazol-3-yl]-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone.

What is the SMILES notation for [1-(2-methoxyethyl)pyrazol-3-yl]-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?

The canonical SMILES for [1-(2-methoxyethyl)pyrazol-3-yl]-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone is COCCn1ccc(C(=O)N2CC3(CC(Oc4ccccn4)CCO3)C2)n1.

What is the InChIKey of [1-(2-methoxyethyl)pyrazol-3-yl]-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?

The InChIKey is CUHJWUKIRVTQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-25-11-9-23-8-5-16(21-23)18(24)22-13-19(14-22)12-15(6-10-26-19)27-17-4-2-3-7-20-17/h2-5,7-8,15H,6,9-14H2,1H3.

What are the key properties of [1-(2-methoxyethyl)pyrazol-3-yl]-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?

[1-(2-methoxyethyl)pyrazol-3-yl]-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone has a molecular weight of 372.43 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2-methoxyethyl)pyrazol-3-yl]-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone is sourced from PubChem (CID 131692536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).