1'-[(5-pyridin-4-ylfuran-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

C26H18N2O5 — CID 71036162

IUPAC1'-[(5-pyridin-4-ylfuran-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(-c3ccncc3)o2)c2ccccc2C12COc1cc3c(cc12)OCO3
InChIInChI=1S/C26H18N2O5/c29-25-26(14-30-22-12-24-23(11-19(22)26)31-15-32-24)18-3-1-2-4-20(18)28(25)13-17-5-6-21(33-17)16-7-9-27-10-8-16/h1-12H,13-15H2
InChIKeyLKBUHMQAVKMRTE-UHFFFAOYSA-N
MW438.44 g/mol
LogP4.30
Rot. Bonds3

About 1'-[(5-pyridin-4-ylfuran-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

1'-[(5-pyridin-4-ylfuran-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (PubChem CID 71036162) has the molecular formula C26H18N2O5 and a molecular weight of 438.44 g/mol. Its IUPAC name is 1'-[(5-pyridin-4-ylfuran-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(5-pyridin-4-ylfuran-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
PubChem CID71036162
Molecular FormulaC26H18N2O5
Molecular Weight438.44 g/mol
Exact Mass438.12
IUPAC Name1'-[(5-pyridin-4-ylfuran-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(-c3ccncc3)o2)c2ccccc2C12COc1cc3c(cc12)OCO3
InChIInChI=1S/C26H18N2O5/c29-25-26(14-30-22-12-24-23(11-19(22)26)31-15-32-24)18-3-1-2-4-20(18)28(25)13-17-5-6-21(33-17)16-7-9-27-10-8-16/h1-12H,13-15H2
InChIKeyLKBUHMQAVKMRTE-UHFFFAOYSA-N
XLogP4.30
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[(5-pyridin-4-ylfuran-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The IUPAC name of 1'-[(5-pyridin-4-ylfuran-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (CID 71036162) is 1'-[(5-pyridin-4-ylfuran-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(5-pyridin-4-ylfuran-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The canonical SMILES for 1'-[(5-pyridin-4-ylfuran-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is O=C1N(Cc2ccc(-c3ccncc3)o2)c2ccccc2C12COc1cc3c(cc12)OCO3.
What is the InChIKey of 1'-[(5-pyridin-4-ylfuran-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The InChIKey is LKBUHMQAVKMRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O5/c29-25-26(14-30-22-12-24-23(11-19(22)26)31-15-32-24)18-3-1-2-4-20(18)28(25)13-17-5-6-21(33-17)16-7-9-27-10-8-16/h1-12H,13-15H2.
What are the key properties of 1'-[(5-pyridin-4-ylfuran-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
1'-[(5-pyridin-4-ylfuran-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one has a molecular weight of 438.44 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-pyridin-4-ylfuran-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is sourced from PubChem (CID 71036162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).