N-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide

C26H19N3O3 — CID 22978274

IUPACN-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
SMILESO=C(Nc1cccc(Oc2ccc3c(/C=C/c4ccco4)n[nH]c3c2)c1)c1ccccc1
InChIInChI=1S/C26H19N3O3/c30-26(18-6-2-1-3-7-18)27-19-8-4-9-21(16-19)32-22-11-13-23-24(28-29-25(23)17-22)14-12-20-10-5-15-31-20/h1-17H,(H,27,30)(H,28,29)/b14-12+
InChIKeyDWKBKZYNVMDRPR-WYMLVPIESA-N
MW421.46 g/mol
LogP6.37
Rot. Bonds6

About N-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide

N-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide (PubChem CID 22978274) has the molecular formula C26H19N3O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
PubChem CID22978274
Molecular FormulaC26H19N3O3
Molecular Weight421.46 g/mol
Exact Mass421.14
IUPAC NameN-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
SMILESO=C(Nc1cccc(Oc2ccc3c(/C=C/c4ccco4)n[nH]c3c2)c1)c1ccccc1
InChIInChI=1S/C26H19N3O3/c30-26(18-6-2-1-3-7-18)27-19-8-4-9-21(16-19)32-22-11-13-23-24(28-29-25(23)17-22)14-12-20-10-5-15-31-20/h1-17H,(H,27,30)(H,28,29)/b14-12+
InChIKeyDWKBKZYNVMDRPR-WYMLVPIESA-N
XLogP6.37
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide?
The IUPAC name of N-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide (CID 22978274) is N-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide.
What is the SMILES notation for N-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide?
The canonical SMILES for N-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide is O=C(Nc1cccc(Oc2ccc3c(/C=C/c4ccco4)n[nH]c3c2)c1)c1ccccc1.
What is the InChIKey of N-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide?
The InChIKey is DWKBKZYNVMDRPR-WYMLVPIESA-N. The full InChI is InChI=1S/C26H19N3O3/c30-26(18-6-2-1-3-7-18)27-19-8-4-9-21(16-19)32-22-11-13-23-24(28-29-25(23)17-22)14-12-20-10-5-15-31-20/h1-17H,(H,27,30)(H,28,29)/b14-12+.
What are the key properties of N-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide?
N-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide has a molecular weight of 421.46 g/mol, XLogP of 6.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide is sourced from PubChem (CID 22978274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).