N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide

C24H17N3O3S — CID 59024430

IUPACN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESO=C(Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1)c1coc2c1C(=O)CCC2
InChIInChI=1S/C24H17N3O3S/c28-18-5-3-6-19-22(18)17(12-30-19)24(29)26-15-8-14-11-25-27-23(14)16(10-15)21-9-13-4-1-2-7-20(13)31-21/h1-2,4,7-12H,3,5-6H2,(H,25,27)(H,26,29)
InChIKeyXKBPXKGVIYWGDO-UHFFFAOYSA-N
MW427.49 g/mol
LogP5.81
Rot. Bonds3

About N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide

N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide (PubChem CID 59024430) has the molecular formula C24H17N3O3S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
PubChem CID59024430
Molecular FormulaC24H17N3O3S
Molecular Weight427.49 g/mol
Exact Mass427.10
IUPAC NameN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESO=C(Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1)c1coc2c1C(=O)CCC2
InChIInChI=1S/C24H17N3O3S/c28-18-5-3-6-19-22(18)17(12-30-19)24(29)26-15-8-14-11-25-27-23(14)16(10-15)21-9-13-4-1-2-7-20(13)31-21/h1-2,4,7-12H,3,5-6H2,(H,25,27)(H,26,29)
InChIKeyXKBPXKGVIYWGDO-UHFFFAOYSA-N
XLogP5.81
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.49
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The IUPAC name of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide (CID 59024430) is N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide is O=C(Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1)c1coc2c1C(=O)CCC2.
What is the InChIKey of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The InChIKey is XKBPXKGVIYWGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3S/c28-18-5-3-6-19-22(18)17(12-30-19)24(29)26-15-8-14-11-25-27-23(14)16(10-15)21-9-13-4-1-2-7-20(13)31-21/h1-2,4,7-12H,3,5-6H2,(H,25,27)(H,26,29).
What are the key properties of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide has a molecular weight of 427.49 g/mol, XLogP of 5.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59024430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).