3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]propanoic acid

C17H15FN2O2 — CID 67005212

IUPAC3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]propanoic acid
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1CCC(=O)O
InChIInChI=1S/C17H15FN2O2/c1-11-8-16-13(9-12(11)2-7-17(21)22)10-19-20(16)15-5-3-14(18)4-6-15/h3-6,8-10H,2,7H2,1H3,(H,21,22)
InChIKeyWUWYLZLBSBAWJH-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.49
Rot. Bonds4

About 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]propanoic acid

3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]propanoic acid (PubChem CID 67005212) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]propanoic acid
PubChem CID67005212
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]propanoic acid
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1CCC(=O)O
InChIInChI=1S/C17H15FN2O2/c1-11-8-16-13(9-12(11)2-7-17(21)22)10-19-20(16)15-5-3-14(18)4-6-15/h3-6,8-10H,2,7H2,1H3,(H,21,22)
InChIKeyWUWYLZLBSBAWJH-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-1-methylindazol-5-yl]acetic acid
CID 118715118
2-[7-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-2-methylindazol-5-yl]acetic acid
CID 118715119
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
2-[1-(2,6-dimethylbenzyl)-3-methyl-1H-indazole-6-yl]acetic acid
CID 60152008
3-[1-[(2,6-Dimethylphenyl)methyl]-3-methylindazol-6-yl]propanoic acid
CID 68183990
2-[1-[(2,6-Dimethylphenyl)methyl]-3-ethylindazol-6-yl]acetic acid
CID 68184290
2-[1-[(2,6-Dimethylphenyl)methyl]-3-propan-2-ylindazol-6-yl]acetic acid
CID 68184292
2-[3-methyl-1-(2,4,6-trimethylbenzyl)-1H-indazole-6-yl]acetic acid
CID 68184447
US11787780, Example 336
CID 166916492
5-Fluoro-2-[5-[1-(4-fluorophenyl)-5-methylindazol-6-yl]-3-oxopentyl]benzoic acid
CID 71452931

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]propanoic acid?
The IUPAC name of 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]propanoic acid (CID 67005212) is 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]propanoic acid is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1CCC(=O)O.
What is the InChIKey of 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]propanoic acid?
The InChIKey is WUWYLZLBSBAWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-11-8-16-13(9-12(11)2-7-17(21)22)10-19-20(16)15-5-3-14(18)4-6-15/h3-6,8-10H,2,7H2,1H3,(H,21,22).
What are the key properties of 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]propanoic acid?
3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]propanoic acid has a molecular weight of 298.32 g/mol, XLogP of 3.49, 4 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-methylindazol-5-yl]propanoic acid is sourced from PubChem (CID 67005212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).