N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide

C25H17N3O3 — CID 23589912

IUPACN-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc3[nH]nc(-c4cc5ccccc5o4)c3c2)c2ccccc21
InChIInChI=1S/C25H17N3O3/c29-21-13-18(16-6-2-3-7-17(16)21)25(30)26-15-9-10-20-19(12-15)24(28-27-20)23-11-14-5-1-4-8-22(14)31-23/h1-12,18H,13H2,(H,26,30)(H,27,28)
InChIKeyYLDSJIJXLQUIAS-UHFFFAOYSA-N
MW407.43 g/mol
LogP5.28
Rot. Bonds3

About N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide

N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 23589912) has the molecular formula C25H17N3O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide
PubChem CID23589912
Molecular FormulaC25H17N3O3
Molecular Weight407.43 g/mol
Exact Mass407.13
IUPAC NameN-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc3[nH]nc(-c4cc5ccccc5o4)c3c2)c2ccccc21
InChIInChI=1S/C25H17N3O3/c29-21-13-18(16-6-2-3-7-17(16)21)25(30)26-15-9-10-20-19(12-15)24(28-27-20)23-11-14-5-1-4-8-22(14)31-23/h1-12,18H,13H2,(H,26,30)(H,27,28)
InChIKeyYLDSJIJXLQUIAS-UHFFFAOYSA-N
XLogP5.28
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.43
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide?
The IUPAC name of N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide (CID 23589912) is N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide is O=C1CC(C(=O)Nc2ccc3[nH]nc(-c4cc5ccccc5o4)c3c2)c2ccccc21.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide?
The InChIKey is YLDSJIJXLQUIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O3/c29-21-13-18(16-6-2-3-7-17(16)21)25(30)26-15-9-10-20-19(12-15)24(28-27-20)23-11-14-5-1-4-8-22(14)31-23/h1-12,18H,13H2,(H,26,30)(H,27,28).
What are the key properties of N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide?
N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 23589912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).