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

C26H22N2O3 — CID 87832638

IUPAC(E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine
SMILESCO/N=C1\CCc2cc(-c3cc(-c4ccc(OC)cc4)oc3-c3ccncc3)ccc21
InChIInChI=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+
InChIKeyVDSFMFFWGMZMGH-ZZIIXHQDSA-N
MW410.47 g/mol
LogP5.98
Rot. Bonds5

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 CID87832638
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name(E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine
SMILESCO/N=C1\CCc2cc(-c3cc(-c4ccc(OC)cc4)oc3-c3ccncc3)ccc21
InChIInChI=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+
InChIKeyVDSFMFFWGMZMGH-ZZIIXHQDSA-N
XLogP5.98
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).