3-(2,5-dimethoxyphenyl)-6-(2-fluorophenoxy)-1H-indazole

C21H17FN2O3 — CID 11405849

IUPAC3-(2,5-dimethoxyphenyl)-6-(2-fluorophenoxy)-1H-indazole
SMILESCOc1ccc(OC)c(-c2n[nH]c3cc(Oc4ccccc4F)ccc23)c1
InChIInChI=1S/C21H17FN2O3/c1-25-13-8-10-19(26-2)16(11-13)21-15-9-7-14(12-18(15)23-24-21)27-20-6-4-3-5-17(20)22/h3-12H,1-2H3,(H,23,24)
InChIKeyFXXLFQVIYUTTQG-UHFFFAOYSA-N
MW364.38 g/mol
LogP5.18
Rot. Bonds5

About 3-(2,5-dimethoxyphenyl)-6-(2-fluorophenoxy)-1H-indazole

3-(2,5-dimethoxyphenyl)-6-(2-fluorophenoxy)-1H-indazole (PubChem CID 11405849) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-6-(2-fluorophenoxy)-1H-indazole.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-6-(2-fluorophenoxy)-1H-indazole
PubChem CID11405849
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name3-(2,5-dimethoxyphenyl)-6-(2-fluorophenoxy)-1H-indazole
SMILESCOc1ccc(OC)c(-c2n[nH]c3cc(Oc4ccccc4F)ccc23)c1
InChIInChI=1S/C21H17FN2O3/c1-25-13-8-10-19(26-2)16(11-13)21-15-9-7-14(12-18(15)23-24-21)27-20-6-4-3-5-17(20)22/h3-12H,1-2H3,(H,23,24)
InChIKeyFXXLFQVIYUTTQG-UHFFFAOYSA-N
XLogP5.18
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.38
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-6-(2-fluorophenoxy)-1H-indazole?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-6-(2-fluorophenoxy)-1H-indazole (CID 11405849) is 3-(2,5-dimethoxyphenyl)-6-(2-fluorophenoxy)-1H-indazole.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-6-(2-fluorophenoxy)-1H-indazole?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-6-(2-fluorophenoxy)-1H-indazole is COc1ccc(OC)c(-c2n[nH]c3cc(Oc4ccccc4F)ccc23)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-6-(2-fluorophenoxy)-1H-indazole?
The InChIKey is FXXLFQVIYUTTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3/c1-25-13-8-10-19(26-2)16(11-13)21-15-9-7-14(12-18(15)23-24-21)27-20-6-4-3-5-17(20)22/h3-12H,1-2H3,(H,23,24).
What are the key properties of 3-(2,5-dimethoxyphenyl)-6-(2-fluorophenoxy)-1H-indazole?
3-(2,5-dimethoxyphenyl)-6-(2-fluorophenoxy)-1H-indazole has a molecular weight of 364.38 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-6-(2-fluorophenoxy)-1H-indazole is sourced from PubChem (CID 11405849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).