6-(3-ethoxyphenyl)-3-(3-ethylphenyl)-1H-indazole

C23H22N2O — CID 166627771

IUPAC6-(3-ethoxyphenyl)-3-(3-ethylphenyl)-1H-indazole
SMILESCCOc1cccc(-c2ccc3c(-c4cccc(CC)c4)n[nH]c3c2)c1
InChIInChI=1S/C23H22N2O/c1-3-16-7-5-9-19(13-16)23-21-12-11-18(15-22(21)24-25-23)17-8-6-10-20(14-17)26-4-2/h5-15H,3-4H2,1-2H3,(H,24,25)
InChIKeyBQFQZXNSXBGIDV-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.86
Rot. Bonds5

About 6-(3-ethoxyphenyl)-3-(3-ethylphenyl)-1H-indazole

6-(3-ethoxyphenyl)-3-(3-ethylphenyl)-1H-indazole (PubChem CID 166627771) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)-3-(3-ethylphenyl)-1H-indazole.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)-3-(3-ethylphenyl)-1H-indazole
PubChem CID166627771
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name6-(3-ethoxyphenyl)-3-(3-ethylphenyl)-1H-indazole
SMILESCCOc1cccc(-c2ccc3c(-c4cccc(CC)c4)n[nH]c3c2)c1
InChIInChI=1S/C23H22N2O/c1-3-16-7-5-9-19(13-16)23-21-12-11-18(15-22(21)24-25-23)17-8-6-10-20(14-17)26-4-2/h5-15H,3-4H2,1-2H3,(H,24,25)
InChIKeyBQFQZXNSXBGIDV-UHFFFAOYSA-N
XLogP5.86
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218427
5-[(3-ethyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218423
5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25195330
5-[(3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218422
3-(5-phenylmethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 68230037
N-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide
CID 71681990
3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide
CID 71682298
Mps1 Inhibitor I
CID 73345836
3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole
CID 134179643
3-(naphthalen-1-ylmethoxy)-1H-indazole
CID 154487473
4-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol
CID 135839302
3-(Naphthalen-2-yl)-6-(3-methoxy4-hydroxy-phenyl)-1H-indazole
CID 135839319

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenyl)-3-(3-ethylphenyl)-1H-indazole?
The IUPAC name of 6-(3-ethoxyphenyl)-3-(3-ethylphenyl)-1H-indazole (CID 166627771) is 6-(3-ethoxyphenyl)-3-(3-ethylphenyl)-1H-indazole.
What is the SMILES notation for 6-(3-ethoxyphenyl)-3-(3-ethylphenyl)-1H-indazole?
The canonical SMILES for 6-(3-ethoxyphenyl)-3-(3-ethylphenyl)-1H-indazole is CCOc1cccc(-c2ccc3c(-c4cccc(CC)c4)n[nH]c3c2)c1.
What is the InChIKey of 6-(3-ethoxyphenyl)-3-(3-ethylphenyl)-1H-indazole?
The InChIKey is BQFQZXNSXBGIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-3-16-7-5-9-19(13-16)23-21-12-11-18(15-22(21)24-25-23)17-8-6-10-20(14-17)26-4-2/h5-15H,3-4H2,1-2H3,(H,24,25).
What are the key properties of 6-(3-ethoxyphenyl)-3-(3-ethylphenyl)-1H-indazole?
6-(3-ethoxyphenyl)-3-(3-ethylphenyl)-1H-indazole has a molecular weight of 342.44 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)-3-(3-ethylphenyl)-1H-indazole is sourced from PubChem (CID 166627771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).