5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-indazole

C22H20N2O3 — CID 164627605

IUPAC5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-indazole
SMILESCOc1cc(-c2n[nH]c3ccc(-c4ccccc4)cc23)cc(OC)c1OC
InChIInChI=1S/C22H20N2O3/c1-25-19-12-16(13-20(26-2)22(19)27-3)21-17-11-15(9-10-18(17)23-24-21)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,24)
InChIKeyQPIGDTKIMOTMFS-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.92
Rot. Bonds5

About 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-indazole

5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-indazole (PubChem CID 164627605) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-indazole.

Molecular Properties

Compound Name5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-indazole
PubChem CID164627605
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-indazole
SMILESCOc1cc(-c2n[nH]c3ccc(-c4ccccc4)cc23)cc(OC)c1OC
InChIInChI=1S/C22H20N2O3/c1-25-19-12-16(13-20(26-2)22(19)27-3)21-17-11-15(9-10-18(17)23-24-21)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,24)
InChIKeyQPIGDTKIMOTMFS-UHFFFAOYSA-N
XLogP4.92
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-3H-benzo[e]indazole
CID 137348793
2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl)acrylamide
CID 67206797
7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydro-3H-benzo[e]indazole
CID 141477178
2-methoxy-5-(6,7,8-trimethoxy-4,5-dihydro-3H-benzo[e]indazol-1-yl)aniline
CID 149519106
5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 11209992
5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 11710445
3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole
CID 134179643
1-(3-fluoro-4-methoxyphenyl)-6,7,8-trimethoxy-4,5-dihydro-3H-benzo[e]indazole
CID 141477181
2-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol
CID 135995958
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
2-(4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl)-5-methoxyphenol
CID 664505

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
The IUPAC name of 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-indazole (CID 164627605) is 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-indazole.
What is the SMILES notation for 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
The canonical SMILES for 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-indazole is COc1cc(-c2n[nH]c3ccc(-c4ccccc4)cc23)cc(OC)c1OC.
What is the InChIKey of 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
The InChIKey is QPIGDTKIMOTMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-25-19-12-16(13-20(26-2)22(19)27-3)21-17-11-15(9-10-18(17)23-24-21)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,24).
What are the key properties of 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-indazole has a molecular weight of 360.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-indazole is sourced from PubChem (CID 164627605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).