(E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine

C26H22N2O3 — CID 87832638

About (E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine

(E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine (PubChem CID 87832638) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is (E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine.

Molecular Properties

• Compound Name: (E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine
• PubChem CID: 87832638
• Molecular Formula: C26H22N2O3
• Molecular Weight: 410.47 g/mol
• Exact Mass: 410.16
• IUPAC Name: (E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine
• SMILES: CO/N=C1\CCc2cc(-c3cc(-c4ccc(OC)cc4)oc3-c3ccncc3)ccc21
• InChI: InChI=1S/C26H22N2O3/c1-29-21-7-3-17(4-8-21)25-16-23(26(31-25)18-11-13-27-14-12-18)20-5-9-22-19(15-20)6-10-24(22)28-30-2/h3-5,7-9,11-16H,6,10H2,1-2H3/b28-24+
• InChIKey: VDSFMFFWGMZMGH-ZZIIXHQDSA-N
• XLogP: 5.98
• TPSA: 56.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.47
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine?

The IUPAC name of (E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine (CID 87832638) is (E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine.

What is the SMILES notation for (E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine?

The canonical SMILES for (E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine is CO/N=C1\CCc2cc(-c3cc(-c4ccc(OC)cc4)oc3-c3ccncc3)ccc21.

What is the InChIKey of (E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine?

The InChIKey is VDSFMFFWGMZMGH-ZZIIXHQDSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-29-21-7-3-17(4-8-21)25-16-23(26(31-25)18-11-13-27-14-12-18)20-5-9-22-19(15-20)6-10-24(22)28-30-2/h3-5,7-9,11-16H,6,10H2,1-2H3/b28-24+.

What are the key properties of (E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine?

(E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine has a molecular weight of 410.47 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine is sourced from PubChem (CID 87832638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).