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

C23H22N2O3 — CID 164618910

IUPAC5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole
SMILESCOc1cc(-c2n[nH]c3ccc(-c4ccc(C)cc4)cc23)cc(OC)c1OC
InChIInChI=1S/C23H22N2O3/c1-14-5-7-15(8-6-14)16-9-10-19-18(11-16)22(25-24-19)17-12-20(26-2)23(28-4)21(13-17)27-3/h5-13H,1-4H3,(H,24,25)
InChIKeySUQBDVXTHOVKPV-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.23
Rot. Bonds5

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

5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole (PubChem CID 164618910) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole
PubChem CID164618910
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole
SMILESCOc1cc(-c2n[nH]c3ccc(-c4ccc(C)cc4)cc23)cc(OC)c1OC
InChIInChI=1S/C23H22N2O3/c1-14-5-7-15(8-6-14)16-9-10-19-18(11-16)22(25-24-19)17-12-20(26-2)23(28-4)21(13-17)27-3/h5-13H,1-4H3,(H,24,25)
InChIKeySUQBDVXTHOVKPV-UHFFFAOYSA-N
XLogP5.23
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.23
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
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
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
5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 11393297
4-naphthalen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 155511973
4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 155515345

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
The IUPAC name of 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole (CID 164618910) is 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
The canonical SMILES for 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole is COc1cc(-c2n[nH]c3ccc(-c4ccc(C)cc4)cc23)cc(OC)c1OC.
What is the InChIKey of 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
The InChIKey is SUQBDVXTHOVKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-14-5-7-15(8-6-14)16-9-10-19-18(11-16)22(25-24-19)17-12-20(26-2)23(28-4)21(13-17)27-3/h5-13H,1-4H3,(H,24,25).
What are the key properties of 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole has a molecular weight of 374.44 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole is sourced from PubChem (CID 164618910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).