imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C21H22N4O3 — CID 131693115

About imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 131693115) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 131693115
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• SMILES: O=C(c1cnc2ccccn12)N1CC2(CC(OCc3ccncc3)CCO2)C1
• InChI: InChI=1S/C21H22N4O3/c26-20(18-12-23-19-3-1-2-9-25(18)19)24-14-21(15-24)11-17(6-10-28-21)27-13-16-4-7-22-8-5-16/h1-5,7-9,12,17H,6,10-11,13-15H2
• InChIKey: VQFCXIJHTKFCLY-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 68.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The IUPAC name of imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 131693115) is imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

What is the SMILES notation for imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The canonical SMILES for imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is O=C(c1cnc2ccccn12)N1CC2(CC(OCc3ccncc3)CCO2)C1.

What is the InChIKey of imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The InChIKey is VQFCXIJHTKFCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-20(18-12-23-19-3-1-2-9-25(18)19)24-14-21(15-24)11-17(6-10-28-21)27-13-16-4-7-22-8-5-16/h1-5,7-9,12,17H,6,10-11,13-15H2.

What are the key properties of imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 378.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 131693115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).