4-[1-(4-fluorophenyl)indazol-6-yl]butanoic acid

C17H15FN2O2 — CID 86722322

IUPAC4-[1-(4-fluorophenyl)indazol-6-yl]butanoic acid
SMILESO=C(O)CCCc1ccc2cnn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C17H15FN2O2/c18-14-6-8-15(9-7-14)20-16-10-12(2-1-3-17(21)22)4-5-13(16)11-19-20/h4-11H,1-3H2,(H,21,22)
InChIKeyRYSKUJXLOLCIOV-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.57
Rot. Bonds5

About 4-[1-(4-fluorophenyl)indazol-6-yl]butanoic acid

4-[1-(4-fluorophenyl)indazol-6-yl]butanoic acid (PubChem CID 86722322) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)indazol-6-yl]butanoic acid.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)indazol-6-yl]butanoic acid
PubChem CID86722322
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name4-[1-(4-fluorophenyl)indazol-6-yl]butanoic acid
SMILESO=C(O)CCCc1ccc2cnn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C17H15FN2O2/c18-14-6-8-15(9-7-14)20-16-10-12(2-1-3-17(21)22)4-5-13(16)11-19-20/h4-11H,1-3H2,(H,21,22)
InChIKeyRYSKUJXLOLCIOV-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CP-401387
CID 9799979
1H-Pyrazole-4-acetic acid, 1,3-diphenyl-
CID 2356939
3-[4-(4-Fluoro-1-pyridin-2-ylindazol-6-yl)phenyl]propanoic acid
CID 137643731
trans-(1S,2S)-2-[4-[3-methyl-1-(4-methylphenyl)indazol-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137648938
trans-(1S,2S)-2-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137656733
trans-(1S,2S)-2-[4-[4-fluoro-3-methyl-1-(4-methylphenyl)indazol-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137657813
3-[1-[(2,6-Dimethylphenyl)methyl]-3-methylindazol-6-yl]propanoic acid
CID 68183990
5-Fluoro-2-[5-[1-(4-fluorophenyl)-5-methylindazol-6-yl]-3-oxopentyl]benzoic acid
CID 71452931
1-(4-(6-Benzyl-2H-indazol-2-yl)-3-fluorobenzyl)azetidine-3-carboxylic acid
CID 53324301
3-(6-Methylindazol-1-yl)propanoic acid
CID 84672230
1-Phenyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 304691
3-Fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid
CID 73295204

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)indazol-6-yl]butanoic acid?
The IUPAC name of 4-[1-(4-fluorophenyl)indazol-6-yl]butanoic acid (CID 86722322) is 4-[1-(4-fluorophenyl)indazol-6-yl]butanoic acid.
What is the SMILES notation for 4-[1-(4-fluorophenyl)indazol-6-yl]butanoic acid?
The canonical SMILES for 4-[1-(4-fluorophenyl)indazol-6-yl]butanoic acid is O=C(O)CCCc1ccc2cnn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 4-[1-(4-fluorophenyl)indazol-6-yl]butanoic acid?
The InChIKey is RYSKUJXLOLCIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-14-6-8-15(9-7-14)20-16-10-12(2-1-3-17(21)22)4-5-13(16)11-19-20/h4-11H,1-3H2,(H,21,22).
What are the key properties of 4-[1-(4-fluorophenyl)indazol-6-yl]butanoic acid?
4-[1-(4-fluorophenyl)indazol-6-yl]butanoic acid has a molecular weight of 298.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)indazol-6-yl]butanoic acid is sourced from PubChem (CID 86722322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).