phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate

C26H28N2O4 — CID 167420174

About phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate

phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 167420174) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate
• PubChem CID: 167420174
• Molecular Formula: C26H28N2O4
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.20
• IUPAC Name: phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate
• SMILES: CC12CCC(c3cn4cc(C(=O)Oc5ccccc5)c(OC5CCCC5)cc4n3)(CO1)C2
• InChI: InChI=1S/C26H28N2O4/c1-25-11-12-26(16-25,17-30-25)22-15-28-14-20(24(29)32-19-7-3-2-4-8-19)21(13-23(28)27-22)31-18-9-5-6-10-18/h2-4,7-8,13-15,18H,5-6,9-12,16-17H2,1H3
• InChIKey: DPGORTCJBVILDU-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 62.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate?

The IUPAC name of phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate (CID 167420174) is phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate.

What is the SMILES notation for phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate?

The canonical SMILES for phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate is CC12CCC(c3cn4cc(C(=O)Oc5ccccc5)c(OC5CCCC5)cc4n3)(CO1)C2.

What is the InChIKey of phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate?

The InChIKey is DPGORTCJBVILDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-25-11-12-26(16-25,17-30-25)22-15-28-14-20(24(29)32-19-7-3-2-4-8-19)21(13-23(28)27-22)31-18-9-5-6-10-18/h2-4,7-8,13-15,18H,5-6,9-12,16-17H2,1H3.

What are the key properties of phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate?

phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 432.52 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 167420174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).