6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one

C22H17FN2O3 — CID 71577327

IUPAC6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOc1cc2c(cc1F)OCC21C(=O)N(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C22H17FN2O3/c1-27-20-10-16-19(11-17(20)23)28-13-22(16)15-7-2-3-8-18(15)25(21(22)26)12-14-6-4-5-9-24-14/h2-11H,12-13H2,1H3
InChIKeyAHIDWEDOSKKCJL-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.45
Rot. Bonds3

About 6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one

6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 71577327) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is 6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID71577327
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOc1cc2c(cc1F)OCC21C(=O)N(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C22H17FN2O3/c1-27-20-10-16-19(11-17(20)23)28-13-22(16)15-7-2-3-8-18(15)25(21(22)26)12-14-6-4-5-9-24-14/h2-11H,12-13H2,1H3
InChIKeyAHIDWEDOSKKCJL-UHFFFAOYSA-N
XLogP3.45
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 71577327) is 6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is COc1cc2c(cc1F)OCC21C(=O)N(Cc2ccccn2)c2ccccc21.
What is the InChIKey of 6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is AHIDWEDOSKKCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3/c1-27-20-10-16-19(11-17(20)23)28-13-22(16)15-7-2-3-8-18(15)25(21(22)26)12-14-6-4-5-9-24-14/h2-11H,12-13H2,1H3.
What are the key properties of 6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 376.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 71577327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).