3-[3-(1-ethylindazol-5-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid

C26H23F3N2O3 — CID 22558904

IUPAC3-[3-(1-ethylindazol-5-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid
SMILESCCn1ncc2cc(-c3cc(CCC(=O)O)ccc3OCc3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C26H23F3N2O3/c1-2-31-23-10-7-19(14-20(23)15-30-31)22-13-17(6-12-25(32)33)5-11-24(22)34-16-18-3-8-21(9-4-18)26(27,28)29/h3-5,7-11,13-15H,2,6,12,16H2,1H3,(H,32,33)
InChIKeyFIZRDBSYRPDKOU-UHFFFAOYSA-N
MW468.48 g/mol
LogP6.34
Rot. Bonds8

About 3-[3-(1-ethylindazol-5-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid

3-[3-(1-ethylindazol-5-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid (PubChem CID 22558904) has the molecular formula C26H23F3N2O3 and a molecular weight of 468.48 g/mol. Its IUPAC name is 3-[3-(1-ethylindazol-5-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(1-ethylindazol-5-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid
PubChem CID22558904
Molecular FormulaC26H23F3N2O3
Molecular Weight468.48 g/mol
Exact Mass468.17
IUPAC Name3-[3-(1-ethylindazol-5-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid
SMILESCCn1ncc2cc(-c3cc(CCC(=O)O)ccc3OCc3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C26H23F3N2O3/c1-2-31-23-10-7-19(14-20(23)15-30-31)22-13-17(6-12-25(32)33)5-11-24(22)34-16-18-3-8-21(9-4-18)26(27,28)29/h3-5,7-11,13-15H,2,6,12,16H2,1H3,(H,32,33)
InChIKeyFIZRDBSYRPDKOU-UHFFFAOYSA-N
XLogP6.34
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(1-ethylindazol-5-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2-Naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]butanoic acid
CID 23017362
3-[4-[[2-(4-Ethylphenyl)pyrazol-3-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
CID 59455584
1-(4-{[7-(1-methyl-1H-indazol-6-yl)-2,3-dihydro-1,4-benzoxazepin-4 (5H)-yl]carbonyl}phenyl)ethanone
CID 59604658
4-[3-Methyl-2-[(3-methylphenyl)methyl]indazol-6-yl]oxycyclohexane-1-carboxylic acid
CID 162654156
1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indazole-5-carboxylic acid
CID 44138105
Ethyl 4-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]benzoate
CID 44451628
Ethyl 4-[1-[(2-methoxyphenyl)methyl]indazol-3-yl]benzoate
CID 44451655
1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indazole-6-carboxylic acid
CID 44591673
5-(2-Ethoxyphenyl)-1-(4-fluorophenyl)indazole
CID 46830800
3-[[4-[3-Methyl-1-[5-[4-(trifluoromethoxy)phenyl]indazol-1-yl]butyl]benzoyl]amino]propanoic acid
CID 155541176
(E)-4-methyl-6-[2-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]phenoxy]hex-4-enoic acid
CID 156019151
2-[3-[5-fluoro-2-[3-(5-fluoroindazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-8-yl]-4-methoxyphenyl]acetic acid
CID 89649080

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethylindazol-5-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[3-(1-ethylindazol-5-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid (CID 22558904) is 3-[3-(1-ethylindazol-5-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-(1-ethylindazol-5-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[3-(1-ethylindazol-5-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid is CCn1ncc2cc(-c3cc(CCC(=O)O)ccc3OCc3ccc(C(F)(F)F)cc3)ccc21.
What is the InChIKey of 3-[3-(1-ethylindazol-5-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid?
The InChIKey is FIZRDBSYRPDKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O3/c1-2-31-23-10-7-19(14-20(23)15-30-31)22-13-17(6-12-25(32)33)5-11-24(22)34-16-18-3-8-21(9-4-18)26(27,28)29/h3-5,7-11,13-15H,2,6,12,16H2,1H3,(H,32,33).
What are the key properties of 3-[3-(1-ethylindazol-5-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid?
3-[3-(1-ethylindazol-5-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid has a molecular weight of 468.48 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethylindazol-5-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 22558904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).