6-methoxy-1,3-diphenylindazole

C20H16N2O — CID 71561024

IUPAC6-methoxy-1,3-diphenylindazole
SMILESCOc1ccc2c(-c3ccccc3)nn(-c3ccccc3)c2c1
InChIInChI=1S/C20H16N2O/c1-23-17-12-13-18-19(14-17)22(16-10-6-3-7-11-16)21-20(18)15-8-4-2-5-9-15/h2-14H,1H3
InChIKeyFHDAJFLZNJDSTO-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.70
Rot. Bonds3

About 6-methoxy-1,3-diphenylindazole

6-methoxy-1,3-diphenylindazole (PubChem CID 71561024) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-methoxy-1,3-diphenylindazole.

Molecular Properties

Compound Name6-methoxy-1,3-diphenylindazole
PubChem CID71561024
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name6-methoxy-1,3-diphenylindazole
SMILESCOc1ccc2c(-c3ccccc3)nn(-c3ccccc3)c2c1
InChIInChI=1S/C20H16N2O/c1-23-17-12-13-18-19(14-17)22(16-10-6-3-7-11-16)21-20(18)15-8-4-2-5-9-15/h2-14H,1H3
InChIKeyFHDAJFLZNJDSTO-UHFFFAOYSA-N
XLogP4.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,3-diphenylindazole?
The IUPAC name of 6-methoxy-1,3-diphenylindazole (CID 71561024) is 6-methoxy-1,3-diphenylindazole.
What is the SMILES notation for 6-methoxy-1,3-diphenylindazole?
The canonical SMILES for 6-methoxy-1,3-diphenylindazole is COc1ccc2c(-c3ccccc3)nn(-c3ccccc3)c2c1.
What is the InChIKey of 6-methoxy-1,3-diphenylindazole?
The InChIKey is FHDAJFLZNJDSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-23-17-12-13-18-19(14-17)22(16-10-6-3-7-11-16)21-20(18)15-8-4-2-5-9-15/h2-14H,1H3.
What are the key properties of 6-methoxy-1,3-diphenylindazole?
6-methoxy-1,3-diphenylindazole has a molecular weight of 300.36 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,3-diphenylindazole is sourced from PubChem (CID 71561024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).