Formic acid;4-methyl-9-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C₁₉H₂₆N₄O₄ — CID 154906890

About Formic acid;4-methyl-9-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

Formic acid;4-methyl-9-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 154906890) has the molecular formula C₁₉H₂₆N₄O₄ and a molecular weight of 374.44 g/mol. Its IUPAC name is formic acid;4-methyl-9-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: Formic acid;4-methyl-9-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 154906890
• Molecular Formula: C₁₉H₂₆N₄O₄
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.20
• IUPAC Name: formic acid;4-methyl-9-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cccn2cc(CN3CCC4(CC3)CN(C)C(=O)CO4)nc12.O=CO
• InChI: InChI=1S/C18H24N4O2.CH2O2/c1-14-4-3-7-22-11-15(19-17(14)22)10-21-8-5-18(6-9-21)13-20(2)16(23)12-24-18;2-1-3/h3-4,7,11H,5-6,8-10,12-13H2,1-2H3;1H,(H,2,3)
• InChIKey: NJISGMNVUNYRHA-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 87.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Formic acid;4-methyl-9-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of Formic acid;4-methyl-9-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 154906890) is formic acid;4-methyl-9-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for Formic acid;4-methyl-9-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for Formic acid;4-methyl-9-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1cccn2cc(CN3CCC4(CC3)CN(C)C(=O)CO4)nc12.O=CO.

What is the InChIKey of Formic acid;4-methyl-9-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is NJISGMNVUNYRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.CH2O2/c1-14-4-3-7-22-11-15(19-17(14)22)10-21-8-5-18(6-9-21)13-20(2)16(23)12-24-18;2-1-3/h3-4,7,11H,5-6,8-10,12-13H2,1-2H3;1H,(H,2,3).

What are the key properties of Formic acid;4-methyl-9-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

Formic acid;4-methyl-9-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 374.44 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Formic acid;4-methyl-9-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 154906890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154906890 — identifiers, structure, computed properties (public domain)

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