1'-[(3-fluoro-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

C23H17FN2O4 — CID 59352071

IUPAC1'-[(3-fluoro-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESO=C1N(Cc2ncccc2F)c2ccccc2C12COc1cc3c(cc12)OCCO3
InChIInChI=1S/C23H17FN2O4/c24-16-5-3-7-25-17(16)12-26-18-6-2-1-4-14(18)23(22(26)27)13-30-19-11-21-20(10-15(19)23)28-8-9-29-21/h1-7,10-11H,8-9,12-13H2
InChIKeyNOZQYLPTSXNBQI-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.22
Rot. Bonds2

About 1'-[(3-fluoro-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

1'-[(3-fluoro-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (PubChem CID 59352071) has the molecular formula C23H17FN2O4 and a molecular weight of 404.40 g/mol. Its IUPAC name is 1'-[(3-fluoro-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(3-fluoro-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
PubChem CID59352071
Molecular FormulaC23H17FN2O4
Molecular Weight404.40 g/mol
Exact Mass404.12
IUPAC Name1'-[(3-fluoro-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESO=C1N(Cc2ncccc2F)c2ccccc2C12COc1cc3c(cc12)OCCO3
InChIInChI=1S/C23H17FN2O4/c24-16-5-3-7-25-17(16)12-26-18-6-2-1-4-14(18)23(22(26)27)13-30-19-11-21-20(10-15(19)23)28-8-9-29-21/h1-7,10-11H,8-9,12-13H2
InChIKeyNOZQYLPTSXNBQI-UHFFFAOYSA-N
XLogP3.22
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[(3-fluoro-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The IUPAC name of 1'-[(3-fluoro-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (CID 59352071) is 1'-[(3-fluoro-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(3-fluoro-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The canonical SMILES for 1'-[(3-fluoro-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is O=C1N(Cc2ncccc2F)c2ccccc2C12COc1cc3c(cc12)OCCO3.
What is the InChIKey of 1'-[(3-fluoro-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The InChIKey is NOZQYLPTSXNBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O4/c24-16-5-3-7-25-17(16)12-26-18-6-2-1-4-14(18)23(22(26)27)13-30-19-11-21-20(10-15(19)23)28-8-9-29-21/h1-7,10-11H,8-9,12-13H2.
What are the key properties of 1'-[(3-fluoro-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
1'-[(3-fluoro-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one has a molecular weight of 404.40 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-fluoro-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is sourced from PubChem (CID 59352071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).