1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one

C22H17N3O3 — CID 59352151

IUPAC1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
SMILESO=C1N(Cc2cnccn2)c2ccccc2C12COc1cc3c(cc12)CCO3
InChIInChI=1S/C22H17N3O3/c26-21-22(13-28-20-10-19-14(5-8-27-19)9-17(20)22)16-3-1-2-4-18(16)25(21)12-15-11-23-6-7-24-15/h1-4,6-7,9-11H,5,8,12-13H2
InChIKeyDLSWEQMVQGRSJL-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.64
Rot. Bonds2

About 1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one

1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one (PubChem CID 59352151) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
PubChem CID59352151
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
SMILESO=C1N(Cc2cnccn2)c2ccccc2C12COc1cc3c(cc12)CCO3
InChIInChI=1S/C22H17N3O3/c26-21-22(13-28-20-10-19-14(5-8-27-19)9-17(20)22)16-3-1-2-4-18(16)25(21)12-15-11-23-6-7-24-15/h1-4,6-7,9-11H,5,8,12-13H2
InChIKeyDLSWEQMVQGRSJL-UHFFFAOYSA-N
XLogP2.64
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one (CID 59352151) is 1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one is O=C1N(Cc2cnccn2)c2ccccc2C12COc1cc3c(cc12)CCO3.
What is the InChIKey of 1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The InChIKey is DLSWEQMVQGRSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-21-22(13-28-20-10-19-14(5-8-27-19)9-17(20)22)16-3-1-2-4-18(16)25(21)12-15-11-23-6-7-24-15/h1-4,6-7,9-11H,5,8,12-13H2.
What are the key properties of 1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one has a molecular weight of 371.40 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59352151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).