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

C25H26N2O6 — CID 164612090

IUPAC3,5-bis(3,4,5-trimethoxyphenyl)-1H-indazole
SMILESCOc1cc(-c2ccc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc(OC)c1OC
InChIInChI=1S/C25H26N2O6/c1-28-19-10-15(11-20(29-2)24(19)32-5)14-7-8-18-17(9-14)23(27-26-18)16-12-21(30-3)25(33-6)22(13-16)31-4/h7-13H,1-6H3,(H,26,27)
InChIKeyJFXPBRRNOOOUJI-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.95
Rot. Bonds8

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

3,5-bis(3,4,5-trimethoxyphenyl)-1H-indazole (PubChem CID 164612090) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is 3,5-bis(3,4,5-trimethoxyphenyl)-1H-indazole.

Molecular Properties

Compound Name3,5-bis(3,4,5-trimethoxyphenyl)-1H-indazole
PubChem CID164612090
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name3,5-bis(3,4,5-trimethoxyphenyl)-1H-indazole
SMILESCOc1cc(-c2ccc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc(OC)c1OC
InChIInChI=1S/C25H26N2O6/c1-28-19-10-15(11-20(29-2)24(19)32-5)14-7-8-18-17(9-14)23(27-26-18)16-12-21(30-3)25(33-6)22(13-16)31-4/h7-13H,1-6H3,(H,26,27)
InChIKeyJFXPBRRNOOOUJI-UHFFFAOYSA-N
XLogP4.95
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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 3,5-bis(3,4,5-trimethoxyphenyl)-1H-indazole?
The IUPAC name of 3,5-bis(3,4,5-trimethoxyphenyl)-1H-indazole (CID 164612090) is 3,5-bis(3,4,5-trimethoxyphenyl)-1H-indazole.
What is the SMILES notation for 3,5-bis(3,4,5-trimethoxyphenyl)-1H-indazole?
The canonical SMILES for 3,5-bis(3,4,5-trimethoxyphenyl)-1H-indazole is COc1cc(-c2ccc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc(OC)c1OC.
What is the InChIKey of 3,5-bis(3,4,5-trimethoxyphenyl)-1H-indazole?
The InChIKey is JFXPBRRNOOOUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-28-19-10-15(11-20(29-2)24(19)32-5)14-7-8-18-17(9-14)23(27-26-18)16-12-21(30-3)25(33-6)22(13-16)31-4/h7-13H,1-6H3,(H,26,27).
What are the key properties of 3,5-bis(3,4,5-trimethoxyphenyl)-1H-indazole?
3,5-bis(3,4,5-trimethoxyphenyl)-1H-indazole has a molecular weight of 450.49 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3,4,5-trimethoxyphenyl)-1H-indazole is sourced from PubChem (CID 164612090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).