1'-(pyridin-2-ylmethyl)spiro[2H-thieno[2,3-f][1]benzofuran-3,3'-indole]-2'-one

C23H16N2O2S — CID 91415836

IUPAC1'-(pyridin-2-ylmethyl)spiro[2H-thieno[2,3-f][1]benzofuran-3,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccn2)c2ccccc2C12COc1cc3ccsc3cc12
InChIInChI=1S/C23H16N2O2S/c26-22-23(14-27-20-11-15-8-10-28-21(15)12-18(20)23)17-6-1-2-7-19(17)25(22)13-16-5-3-4-9-24-16/h1-12H,13-14H2
InChIKeyLRSBKWMOICGYOZ-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.52
Rot. Bonds2

About 1'-(pyridin-2-ylmethyl)spiro[2H-thieno[2,3-f][1]benzofuran-3,3'-indole]-2'-one

1'-(pyridin-2-ylmethyl)spiro[2H-thieno[2,3-f][1]benzofuran-3,3'-indole]-2'-one (PubChem CID 91415836) has the molecular formula C23H16N2O2S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1'-(pyridin-2-ylmethyl)spiro[2H-thieno[2,3-f][1]benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(pyridin-2-ylmethyl)spiro[2H-thieno[2,3-f][1]benzofuran-3,3'-indole]-2'-one
PubChem CID91415836
Molecular FormulaC23H16N2O2S
Molecular Weight384.46 g/mol
Exact Mass384.09
IUPAC Name1'-(pyridin-2-ylmethyl)spiro[2H-thieno[2,3-f][1]benzofuran-3,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccn2)c2ccccc2C12COc1cc3ccsc3cc12
InChIInChI=1S/C23H16N2O2S/c26-22-23(14-27-20-11-15-8-10-28-21(15)12-18(20)23)17-6-1-2-7-19(17)25(22)13-16-5-3-4-9-24-16/h1-12H,13-14H2
InChIKeyLRSBKWMOICGYOZ-UHFFFAOYSA-N
XLogP4.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(pyridin-2-ylmethyl)-6-(trifluoromethoxy)spiro[2H-1-benzofuran-3,3'-indole]-2'-one;hydrochloride
CID 66642616
(8S)-1'-(pyrimidin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352095
1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352151
formaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 143977171
2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile
CID 67356708
5'-isocyano-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352427
(8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 58224165
1'-(thiophen-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263336
1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642329
1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one
CID 46195988
1'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263410
1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one
CID 59352657

Frequently Asked Questions

What is the IUPAC name of 1'-(pyridin-2-ylmethyl)spiro[2H-thieno[2,3-f][1]benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 1'-(pyridin-2-ylmethyl)spiro[2H-thieno[2,3-f][1]benzofuran-3,3'-indole]-2'-one (CID 91415836) is 1'-(pyridin-2-ylmethyl)spiro[2H-thieno[2,3-f][1]benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 1'-(pyridin-2-ylmethyl)spiro[2H-thieno[2,3-f][1]benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 1'-(pyridin-2-ylmethyl)spiro[2H-thieno[2,3-f][1]benzofuran-3,3'-indole]-2'-one is O=C1N(Cc2ccccn2)c2ccccc2C12COc1cc3ccsc3cc12.
What is the InChIKey of 1'-(pyridin-2-ylmethyl)spiro[2H-thieno[2,3-f][1]benzofuran-3,3'-indole]-2'-one?
The InChIKey is LRSBKWMOICGYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2S/c26-22-23(14-27-20-11-15-8-10-28-21(15)12-18(20)23)17-6-1-2-7-19(17)25(22)13-16-5-3-4-9-24-16/h1-12H,13-14H2.
What are the key properties of 1'-(pyridin-2-ylmethyl)spiro[2H-thieno[2,3-f][1]benzofuran-3,3'-indole]-2'-one?
1'-(pyridin-2-ylmethyl)spiro[2H-thieno[2,3-f][1]benzofuran-3,3'-indole]-2'-one has a molecular weight of 384.46 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyridin-2-ylmethyl)spiro[2H-thieno[2,3-f][1]benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 91415836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).