3-[1-(4-fluorophenyl)-6-propan-2-ylindazol-5-yl]-2,2-dimethylpropanoic acid

C21H23FN2O2 — CID 67005727

IUPAC3-[1-(4-fluorophenyl)-6-propan-2-ylindazol-5-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)c1cc2c(cnn2-c2ccc(F)cc2)cc1CC(C)(C)C(=O)O
InChIInChI=1S/C21H23FN2O2/c1-13(2)18-10-19-15(9-14(18)11-21(3,4)20(25)26)12-23-24(19)17-7-5-16(22)6-8-17/h5-10,12-13H,11H2,1-4H3,(H,25,26)
InChIKeyFJRGOPKDUZRJRT-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.94
Rot. Bonds5

About 3-[1-(4-fluorophenyl)-6-propan-2-ylindazol-5-yl]-2,2-dimethylpropanoic acid

3-[1-(4-fluorophenyl)-6-propan-2-ylindazol-5-yl]-2,2-dimethylpropanoic acid (PubChem CID 67005727) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-6-propan-2-ylindazol-5-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-6-propan-2-ylindazol-5-yl]-2,2-dimethylpropanoic acid
PubChem CID67005727
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name3-[1-(4-fluorophenyl)-6-propan-2-ylindazol-5-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)c1cc2c(cnn2-c2ccc(F)cc2)cc1CC(C)(C)C(=O)O
InChIInChI=1S/C21H23FN2O2/c1-13(2)18-10-19-15(9-14(18)11-21(3,4)20(25)26)12-23-24(19)17-7-5-16(22)6-8-17/h5-10,12-13H,11H2,1-4H3,(H,25,26)
InChIKeyFJRGOPKDUZRJRT-UHFFFAOYSA-N
XLogP4.94
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.94
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)-6-propan-2-ylindazol-5-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[1-(4-fluorophenyl)-6-propan-2-ylindazol-5-yl]-2,2-dimethylpropanoic acid (CID 67005727) is 3-[1-(4-fluorophenyl)-6-propan-2-ylindazol-5-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-6-propan-2-ylindazol-5-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[1-(4-fluorophenyl)-6-propan-2-ylindazol-5-yl]-2,2-dimethylpropanoic acid is CC(C)c1cc2c(cnn2-c2ccc(F)cc2)cc1CC(C)(C)C(=O)O.
What is the InChIKey of 3-[1-(4-fluorophenyl)-6-propan-2-ylindazol-5-yl]-2,2-dimethylpropanoic acid?
The InChIKey is FJRGOPKDUZRJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-13(2)18-10-19-15(9-14(18)11-21(3,4)20(25)26)12-23-24(19)17-7-5-16(22)6-8-17/h5-10,12-13H,11H2,1-4H3,(H,25,26).
What are the key properties of 3-[1-(4-fluorophenyl)-6-propan-2-ylindazol-5-yl]-2,2-dimethylpropanoic acid?
3-[1-(4-fluorophenyl)-6-propan-2-ylindazol-5-yl]-2,2-dimethylpropanoic acid has a molecular weight of 354.43 g/mol, XLogP of 4.94, 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)-6-propan-2-ylindazol-5-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 67005727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).