5,6-dimethoxy-2-(3-methylphenyl)indazole

C16H16N2O2 — CID 139227485

IUPAC5,6-dimethoxy-2-(3-methylphenyl)indazole
SMILESCOc1cc2cn(-c3cccc(C)c3)nc2cc1OC
InChIInChI=1S/C16H16N2O2/c1-11-5-4-6-13(7-11)18-10-12-8-15(19-2)16(20-3)9-14(12)17-18/h4-10H,1-3H3
InChIKeyWIFYMQKWIXMPNB-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.35
Rot. Bonds3

About 5,6-dimethoxy-2-(3-methylphenyl)indazole

5,6-dimethoxy-2-(3-methylphenyl)indazole (PubChem CID 139227485) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5,6-dimethoxy-2-(3-methylphenyl)indazole.

Molecular Properties

Compound Name5,6-dimethoxy-2-(3-methylphenyl)indazole
PubChem CID139227485
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5,6-dimethoxy-2-(3-methylphenyl)indazole
SMILESCOc1cc2cn(-c3cccc(C)c3)nc2cc1OC
InChIInChI=1S/C16H16N2O2/c1-11-5-4-6-13(7-11)18-10-12-8-15(19-2)16(20-3)9-14(12)17-18/h4-10H,1-3H3
InChIKeyWIFYMQKWIXMPNB-UHFFFAOYSA-N
XLogP3.35
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethoxy-2-(3-methylphenyl)indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-(3-methylphenyl)indazole?
The IUPAC name of 5,6-dimethoxy-2-(3-methylphenyl)indazole (CID 139227485) is 5,6-dimethoxy-2-(3-methylphenyl)indazole.
What is the SMILES notation for 5,6-dimethoxy-2-(3-methylphenyl)indazole?
The canonical SMILES for 5,6-dimethoxy-2-(3-methylphenyl)indazole is COc1cc2cn(-c3cccc(C)c3)nc2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2-(3-methylphenyl)indazole?
The InChIKey is WIFYMQKWIXMPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-5-4-6-13(7-11)18-10-12-8-15(19-2)16(20-3)9-14(12)17-18/h4-10H,1-3H3.
What are the key properties of 5,6-dimethoxy-2-(3-methylphenyl)indazole?
5,6-dimethoxy-2-(3-methylphenyl)indazole has a molecular weight of 268.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-(3-methylphenyl)indazole is sourced from PubChem (CID 139227485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).