5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole

C22H19FN2O3 — CID 164626658

IUPAC5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole
SMILESCOc1cc(-c2n[nH]c3ccc(-c4ccc(F)cc4)cc23)cc(OC)c1OC
InChIInChI=1S/C22H19FN2O3/c1-26-19-11-15(12-20(27-2)22(19)28-3)21-17-10-14(6-9-18(17)24-25-21)13-4-7-16(23)8-5-13/h4-12H,1-3H3,(H,24,25)
InChIKeyQUNCBCTYQAQCMA-UHFFFAOYSA-N
MW378.40 g/mol
LogP5.06
Rot. Bonds5

About 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole

5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole (PubChem CID 164626658) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole
PubChem CID164626658
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole
SMILESCOc1cc(-c2n[nH]c3ccc(-c4ccc(F)cc4)cc23)cc(OC)c1OC
InChIInChI=1S/C22H19FN2O3/c1-26-19-11-15(12-20(27-2)22(19)28-3)21-17-10-14(6-9-18(17)24-25-21)13-4-7-16(23)8-5-13/h4-12H,1-3H3,(H,24,25)
InChIKeyQUNCBCTYQAQCMA-UHFFFAOYSA-N
XLogP5.06
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole (CID 164626658) is 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole is COc1cc(-c2n[nH]c3ccc(-c4ccc(F)cc4)cc23)cc(OC)c1OC.
What is the InChIKey of 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
The InChIKey is QUNCBCTYQAQCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-26-19-11-15(12-20(27-2)22(19)28-3)21-17-10-14(6-9-18(17)24-25-21)13-4-7-16(23)8-5-13/h4-12H,1-3H3,(H,24,25).
What are the key properties of 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole has a molecular weight of 378.40 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole is sourced from PubChem (CID 164626658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).