N-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide

C29H21N5O2 — CID 67552693

IUPACN-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
SMILESO=C(Nc1cccc(Oc2ccc3c(/C=C/c4cccc5[nH]ncc45)n[nH]c3c2)c1)c1ccccc1
InChIInChI=1S/C29H21N5O2/c35-29(20-6-2-1-3-7-20)31-21-9-5-10-22(16-21)36-23-13-14-24-27(33-34-28(24)17-23)15-12-19-8-4-11-26-25(19)18-30-32-26/h1-18H,(H,30,32)(H,31,35)(H,33,34)/b15-12+
InChIKeyUQRDURJHSSOMAD-NTCAYCPXSA-N
MW471.52 g/mol
LogP6.65
Rot. Bonds6

About N-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide

N-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide (PubChem CID 67552693) has the molecular formula C29H21N5O2 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
PubChem CID67552693
Molecular FormulaC29H21N5O2
Molecular Weight471.52 g/mol
Exact Mass471.17
IUPAC NameN-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
SMILESO=C(Nc1cccc(Oc2ccc3c(/C=C/c4cccc5[nH]ncc45)n[nH]c3c2)c1)c1ccccc1
InChIInChI=1S/C29H21N5O2/c35-29(20-6-2-1-3-7-20)31-21-9-5-10-22(16-21)36-23-13-14-24-27(33-34-28(24)17-23)15-12-19-8-4-11-26-25(19)18-30-32-26/h1-18H,(H,30,32)(H,31,35)(H,33,34)/b15-12+
InChIKeyUQRDURJHSSOMAD-NTCAYCPXSA-N
XLogP6.65
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 56.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[3-[2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 69373493
2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide
CID 68996590
6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 134135011
2-(2,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide
CID 134133199
N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 158562823
N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide
CID 69370068
N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[3.3.1]non-6-ene-3-carboxamide
CID 134143744
N-[3-[[3-[2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide
CID 69370278
N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide
CID 143770344
1-acetyl-N-[3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]piperidine-4-carboxamide
CID 22978012
4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide
CID 86628199
4-oxo-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyran-2-carboxamide
CID 134145225

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide?
The IUPAC name of N-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide (CID 67552693) is N-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide.
What is the SMILES notation for N-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide?
The canonical SMILES for N-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide is O=C(Nc1cccc(Oc2ccc3c(/C=C/c4cccc5[nH]ncc45)n[nH]c3c2)c1)c1ccccc1.
What is the InChIKey of N-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide?
The InChIKey is UQRDURJHSSOMAD-NTCAYCPXSA-N. The full InChI is InChI=1S/C29H21N5O2/c35-29(20-6-2-1-3-7-20)31-21-9-5-10-22(16-21)36-23-13-14-24-27(33-34-28(24)17-23)15-12-19-8-4-11-26-25(19)18-30-32-26/h1-18H,(H,30,32)(H,31,35)(H,33,34)/b15-12+.
What are the key properties of N-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide?
N-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide has a molecular weight of 471.52 g/mol, XLogP of 6.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide is sourced from PubChem (CID 67552693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).