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

C23H22N2O4 — CID 164627979

IUPAC5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole
SMILESCOc1ccc(-c2ccc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1
InChIInChI=1S/C23H22N2O4/c1-26-17-8-5-14(6-9-17)15-7-10-19-18(11-15)22(25-24-19)16-12-20(27-2)23(29-4)21(13-16)28-3/h5-13H,1-4H3,(H,24,25)
InChIKeyVJKMOYBLTUOJLF-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.93
Rot. Bonds6

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

5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole (PubChem CID 164627979) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole
PubChem CID164627979
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole
SMILESCOc1ccc(-c2ccc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1
InChIInChI=1S/C23H22N2O4/c1-26-17-8-5-14(6-9-17)15-7-10-19-18(11-15)22(25-24-19)16-12-20(27-2)23(29-4)21(13-16)28-3/h5-13H,1-4H3,(H,24,25)
InChIKeyVJKMOYBLTUOJLF-UHFFFAOYSA-N
XLogP4.93
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

XN-0502
CID 46183322
4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973278
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
5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185578
1-(3-fluoro-4-methoxyphenyl)-6,7,8-trimethoxy-4,5-dihydro-3H-benzo[e]indazole
CID 141477181
2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol
CID 135995955

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole (CID 164627979) is 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole is COc1ccc(-c2ccc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
The InChIKey is VJKMOYBLTUOJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-26-17-8-5-14(6-9-17)15-7-10-19-18(11-15)22(25-24-19)16-12-20(27-2)23(29-4)21(13-16)28-3/h5-13H,1-4H3,(H,24,25).
What are the key properties of 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole has a molecular weight of 390.44 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole is sourced from PubChem (CID 164627979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).