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

C22H17FN2O3 — CID 59352317

IUPAC5-fluoro-6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOc1cc2c(cc1F)C1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C22H17FN2O3/c1-27-20-11-19-16(10-17(20)23)22(13-28-19)15-7-2-3-8-18(15)25(21(22)26)12-14-6-4-5-9-24-14/h2-11H,12-13H2,1H3
InChIKeyVKUBDXJMQPXASM-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.45
Rot. Bonds3

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

5-fluoro-6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 59352317) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name5-fluoro-6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID59352317
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name5-fluoro-6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOc1cc2c(cc1F)C1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C22H17FN2O3/c1-27-20-11-19-16(10-17(20)23)22(13-28-19)15-7-2-3-8-18(15)25(21(22)26)12-14-6-4-5-9-24-14/h2-11H,12-13H2,1H3
InChIKeyVKUBDXJMQPXASM-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 5-fluoro-6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 5-fluoro-6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 59352317) is 5-fluoro-6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 5-fluoro-6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 5-fluoro-6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is COc1cc2c(cc1F)C1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21.
What is the InChIKey of 5-fluoro-6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is VKUBDXJMQPXASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3/c1-27-20-11-19-16(10-17(20)23)22(13-28-19)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 5-fluoro-6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
5-fluoro-6-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 5-fluoro-6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59352317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).