6-(2-fluorophenoxy)-3-(furan-3-yl)-1H-indazole

C34H22F2N4O4 — CID 161040605

IUPAC6-(2-fluorophenoxy)-3-(furan-3-yl)-1H-indazole
SMILESFc1ccccc1Oc1ccc2c(-c3ccoc3)n[nH]c2c1.Fc1ccccc1Oc1ccc2c(-c3ccoc3)n[nH]c2c1
InChIInChI=1S/2C17H11FN2O2/c2*18-14-3-1-2-4-16(14)22-12-5-6-13-15(9-12)19-20-17(13)11-7-8-21-10-11/h2*1-10H,(H,19,20)
InChIKeyUAVGHVWUWIXJPH-UHFFFAOYSA-N
MW588.57 g/mol
LogP9.51
Rot. Bonds6

About 6-(2-fluorophenoxy)-3-(furan-3-yl)-1H-indazole

6-(2-fluorophenoxy)-3-(furan-3-yl)-1H-indazole (PubChem CID 161040605) has the molecular formula C34H22F2N4O4 and a molecular weight of 588.57 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)-3-(furan-3-yl)-1H-indazole.

Molecular Properties

Compound Name6-(2-fluorophenoxy)-3-(furan-3-yl)-1H-indazole
PubChem CID161040605
Molecular FormulaC34H22F2N4O4
Molecular Weight588.57 g/mol
Exact Mass588.16
IUPAC Name6-(2-fluorophenoxy)-3-(furan-3-yl)-1H-indazole
SMILESFc1ccccc1Oc1ccc2c(-c3ccoc3)n[nH]c2c1.Fc1ccccc1Oc1ccc2c(-c3ccoc3)n[nH]c2c1
InChIInChI=1S/2C17H11FN2O2/c2*18-14-3-1-2-4-16(14)22-12-5-6-13-15(9-12)19-20-17(13)11-7-8-21-10-11/h2*1-10H,(H,19,20)
InChIKeyUAVGHVWUWIXJPH-UHFFFAOYSA-N
XLogP9.51
TPSA102.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.57
LogP ≤ 59.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenoxy)-3-(furan-3-yl)-1H-indazole?
The IUPAC name of 6-(2-fluorophenoxy)-3-(furan-3-yl)-1H-indazole (CID 161040605) is 6-(2-fluorophenoxy)-3-(furan-3-yl)-1H-indazole.
What is the SMILES notation for 6-(2-fluorophenoxy)-3-(furan-3-yl)-1H-indazole?
The canonical SMILES for 6-(2-fluorophenoxy)-3-(furan-3-yl)-1H-indazole is Fc1ccccc1Oc1ccc2c(-c3ccoc3)n[nH]c2c1.Fc1ccccc1Oc1ccc2c(-c3ccoc3)n[nH]c2c1.
What is the InChIKey of 6-(2-fluorophenoxy)-3-(furan-3-yl)-1H-indazole?
The InChIKey is UAVGHVWUWIXJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H11FN2O2/c2*18-14-3-1-2-4-16(14)22-12-5-6-13-15(9-12)19-20-17(13)11-7-8-21-10-11/h2*1-10H,(H,19,20).
What are the key properties of 6-(2-fluorophenoxy)-3-(furan-3-yl)-1H-indazole?
6-(2-fluorophenoxy)-3-(furan-3-yl)-1H-indazole has a molecular weight of 588.57 g/mol, XLogP of 9.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenoxy)-3-(furan-3-yl)-1H-indazole is sourced from PubChem (CID 161040605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).