6-(2-fluorophenoxy)-3-(4-methoxy-2-methylphenyl)-1H-indazole

C21H17FN2O2 — CID 11152235

IUPAC6-(2-fluorophenoxy)-3-(4-methoxy-2-methylphenyl)-1H-indazole
SMILESCOc1ccc(-c2n[nH]c3cc(Oc4ccccc4F)ccc23)c(C)c1
InChIInChI=1S/C21H17FN2O2/c1-13-11-14(25-2)7-9-16(13)21-17-10-8-15(12-19(17)23-24-21)26-20-6-4-3-5-18(20)22/h3-12H,1-2H3,(H,23,24)
InChIKeyDALBSEHOTJUVCM-UHFFFAOYSA-N
MW348.38 g/mol
LogP5.48
Rot. Bonds4

About 6-(2-fluorophenoxy)-3-(4-methoxy-2-methylphenyl)-1H-indazole

6-(2-fluorophenoxy)-3-(4-methoxy-2-methylphenyl)-1H-indazole (PubChem CID 11152235) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)-3-(4-methoxy-2-methylphenyl)-1H-indazole.

Molecular Properties

Compound Name6-(2-fluorophenoxy)-3-(4-methoxy-2-methylphenyl)-1H-indazole
PubChem CID11152235
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name6-(2-fluorophenoxy)-3-(4-methoxy-2-methylphenyl)-1H-indazole
SMILESCOc1ccc(-c2n[nH]c3cc(Oc4ccccc4F)ccc23)c(C)c1
InChIInChI=1S/C21H17FN2O2/c1-13-11-14(25-2)7-9-16(13)21-17-10-8-15(12-19(17)23-24-21)26-20-6-4-3-5-18(20)22/h3-12H,1-2H3,(H,23,24)
InChIKeyDALBSEHOTJUVCM-UHFFFAOYSA-N
XLogP5.48
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.38
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2-fluorophenoxy)-3-(4-methoxy-2-methylphenyl)-1H-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 6-(2-fluorophenoxy)-3-(4-methoxy-2-methylphenyl)-1H-indazole?
The IUPAC name of 6-(2-fluorophenoxy)-3-(4-methoxy-2-methylphenyl)-1H-indazole (CID 11152235) is 6-(2-fluorophenoxy)-3-(4-methoxy-2-methylphenyl)-1H-indazole.
What is the SMILES notation for 6-(2-fluorophenoxy)-3-(4-methoxy-2-methylphenyl)-1H-indazole?
The canonical SMILES for 6-(2-fluorophenoxy)-3-(4-methoxy-2-methylphenyl)-1H-indazole is COc1ccc(-c2n[nH]c3cc(Oc4ccccc4F)ccc23)c(C)c1.
What is the InChIKey of 6-(2-fluorophenoxy)-3-(4-methoxy-2-methylphenyl)-1H-indazole?
The InChIKey is DALBSEHOTJUVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-13-11-14(25-2)7-9-16(13)21-17-10-8-15(12-19(17)23-24-21)26-20-6-4-3-5-18(20)22/h3-12H,1-2H3,(H,23,24).
What are the key properties of 6-(2-fluorophenoxy)-3-(4-methoxy-2-methylphenyl)-1H-indazole?
6-(2-fluorophenoxy)-3-(4-methoxy-2-methylphenyl)-1H-indazole has a molecular weight of 348.38 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenoxy)-3-(4-methoxy-2-methylphenyl)-1H-indazole is sourced from PubChem (CID 11152235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).