3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropanoic acid

C23H19FN2O2 — CID 59251052

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropanoic acid
SMILESCC(C(=O)O)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H19FN2O2/c1-15(23(27)28)22(16-5-3-2-4-6-16)17-7-12-21-18(13-17)14-25-26(21)20-10-8-19(24)9-11-20/h2-15,22H,1H3,(H,27,28)
InChIKeyJBLCTPFIICNDIB-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.02
Rot. Bonds5

About 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropanoic acid

3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropanoic acid (PubChem CID 59251052) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropanoic acid
PubChem CID59251052
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropanoic acid
SMILESCC(C(=O)O)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H19FN2O2/c1-15(23(27)28)22(16-5-3-2-4-6-16)17-7-12-21-18(13-17)14-25-26(21)20-10-8-19(24)9-11-20/h2-15,22H,1H3,(H,27,28)
InChIKeyJBLCTPFIICNDIB-UHFFFAOYSA-N
XLogP5.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropanoic acid (CID 59251052) is 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropanoic acid is CC(C(=O)O)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropanoic acid?
The InChIKey is JBLCTPFIICNDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-15(23(27)28)22(16-5-3-2-4-6-16)17-7-12-21-18(13-17)14-25-26(21)20-10-8-19(24)9-11-20/h2-15,22H,1H3,(H,27,28).
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropanoic acid?
3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropanoic acid has a molecular weight of 374.42 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 59251052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).