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

C24H21FN2O2 — CID 59251074

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoic acid
SMILESCC(C)(C(=O)O)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H21FN2O2/c1-24(2,23(28)29)22(16-6-4-3-5-7-16)17-8-13-21-18(14-17)15-26-27(21)20-11-9-19(25)10-12-20/h3-15,22H,1-2H3,(H,28,29)
InChIKeyPDDSTSWAXZNWOE-UHFFFAOYSA-N
MW388.44 g/mol
LogP5.41
Rot. Bonds5

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

3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoic acid (PubChem CID 59251074) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoic acid
PubChem CID59251074
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoic acid
SMILESCC(C)(C(=O)O)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H21FN2O2/c1-24(2,23(28)29)22(16-6-4-3-5-7-16)17-8-13-21-18(14-17)15-26-27(21)20-11-9-19(25)10-12-20/h3-15,22H,1-2H3,(H,28,29)
InChIKeyPDDSTSWAXZNWOE-UHFFFAOYSA-N
XLogP5.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 55.41
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]-2,2-dimethyl-3-phenylpropanoic acid?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoic acid (CID 59251074) is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoic acid.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoic acid?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoic acid is CC(C)(C(=O)O)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoic acid?
The InChIKey is PDDSTSWAXZNWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-24(2,23(28)29)22(16-6-4-3-5-7-16)17-8-13-21-18(14-17)15-26-27(21)20-11-9-19(25)10-12-20/h3-15,22H,1-2H3,(H,28,29).
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoic acid?
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanoic acid has a molecular weight of 388.44 g/mol, XLogP of 5.41, 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]-2,2-dimethyl-3-phenylpropanoic acid is sourced from PubChem (CID 59251074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).