6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-methylindazole

C23H21FN2O — CID 149067103

IUPAC6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-methylindazole
SMILESCCc1cc(OCc2ccccc2)c(F)cc1-c1ccc2cnn(C)c2c1
InChIInChI=1S/C23H21FN2O/c1-3-17-12-23(27-15-16-7-5-4-6-8-16)21(24)13-20(17)18-9-10-19-14-25-26(2)22(19)11-18/h4-14H,3,15H2,1-2H3
InChIKeyQNBFYOPMCZDVMR-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.52
Rot. Bonds5

About 6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-methylindazole

6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-methylindazole (PubChem CID 149067103) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is 6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-methylindazole.

Molecular Properties

Compound Name6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-methylindazole
PubChem CID149067103
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-methylindazole
SMILESCCc1cc(OCc2ccccc2)c(F)cc1-c1ccc2cnn(C)c2c1
InChIInChI=1S/C23H21FN2O/c1-3-17-12-23(27-15-16-7-5-4-6-8-16)21(24)13-20(17)18-9-10-19-14-25-26(2)22(19)11-18/h4-14H,3,15H2,1-2H3
InChIKeyQNBFYOPMCZDVMR-UHFFFAOYSA-N
XLogP5.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-methylindazole?
The IUPAC name of 6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-methylindazole (CID 149067103) is 6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-methylindazole.
What is the SMILES notation for 6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-methylindazole?
The canonical SMILES for 6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-methylindazole is CCc1cc(OCc2ccccc2)c(F)cc1-c1ccc2cnn(C)c2c1.
What is the InChIKey of 6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-methylindazole?
The InChIKey is QNBFYOPMCZDVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c1-3-17-12-23(27-15-16-7-5-4-6-8-16)21(24)13-20(17)18-9-10-19-14-25-26(2)22(19)11-18/h4-14H,3,15H2,1-2H3.
What are the key properties of 6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-methylindazole?
6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-methylindazole has a molecular weight of 360.43 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-methylindazole is sourced from PubChem (CID 149067103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).