3-[4-[2-(2-chlorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid

C25H23ClN2O3 — CID 22558732

IUPAC3-[4-[2-(2-chlorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid
SMILESCn1ncc2cc(-c3cc(CCC(=O)O)ccc3OCCc3ccccc3Cl)ccc21
InChIInChI=1S/C25H23ClN2O3/c1-28-23-9-8-19(15-20(23)16-27-28)21-14-17(7-11-25(29)30)6-10-24(21)31-13-12-18-4-2-3-5-22(18)26/h2-6,8-10,14-16H,7,11-13H2,1H3,(H,29,30)
InChIKeyXFQWZHYEDXFJFB-UHFFFAOYSA-N
MW434.92 g/mol
LogP5.53
Rot. Bonds8

About 3-[4-[2-(2-chlorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid

3-[4-[2-(2-chlorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid (PubChem CID 22558732) has the molecular formula C25H23ClN2O3 and a molecular weight of 434.92 g/mol. Its IUPAC name is 3-[4-[2-(2-chlorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(2-chlorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid
PubChem CID22558732
Molecular FormulaC25H23ClN2O3
Molecular Weight434.92 g/mol
Exact Mass434.14
IUPAC Name3-[4-[2-(2-chlorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid
SMILESCn1ncc2cc(-c3cc(CCC(=O)O)ccc3OCCc3ccccc3Cl)ccc21
InChIInChI=1S/C25H23ClN2O3/c1-28-23-9-8-19(15-20(23)16-27-28)21-14-17(7-11-25(29)30)6-10-24(21)31-13-12-18-4-2-3-5-22(18)26/h2-6,8-10,14-16H,7,11-13H2,1H3,(H,29,30)
InChIKeyXFQWZHYEDXFJFB-UHFFFAOYSA-N
XLogP5.53
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.92
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[2-(2-chlorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid with MolForge

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Related Compounds

3-[4-[[2-(4-Chlorophenyl)pyrazol-3-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
CID 59455552
CMKLR1 antagonist 1
CID 169422750
2-[3-[5-chloro-2-(3-indazol-1-ylpropanoyl)-3,4-dihydro-1H-isoquinolin-8-yl]-4-methoxyphenyl]acetic acid
CID 89649072
2-[2-[[4-[3-(Aminomethyl)-2-fluorophenyl]-2-methylindazol-6-yl]methoxy]phenyl]acetic acid
CID 139561108
2-[2-[[4-[3-(Aminomethyl)-2-fluorophenyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid
CID 139561292
Ak-106
CID 22559109
4-Methyl-3-[4-[(3-phenyl-1-propan-2-ylindazol-6-yl)methoxy]phenyl]pentanoic acid
CID 172439833
3-[4-[[1-(Cyclohexylmethyl)-3-phenylindazol-6-yl]methoxy]phenyl]butanoic acid
CID 172439903
3-[4-[(3-Phenyl-1-propylindazol-6-yl)methoxy]phenyl]butanoic acid
CID 172448037
3-[4-[[1-(2-Methylpropyl)-3-phenylindazol-6-yl]methoxy]phenyl]butanoic acid
CID 172452886
3-[4-[[3-(4-Chlorophenyl)-1-cyclopentylindazol-6-yl]methoxy]phenyl]butanoic acid
CID 172452954
3-[4-[(3-Phenyl-1-propan-2-ylindazol-6-yl)methoxy]phenyl]butanoic acid
CID 172452983

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-chlorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid?
The IUPAC name of 3-[4-[2-(2-chlorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid (CID 22558732) is 3-[4-[2-(2-chlorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(2-chlorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-[2-(2-chlorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid is Cn1ncc2cc(-c3cc(CCC(=O)O)ccc3OCCc3ccccc3Cl)ccc21.
What is the InChIKey of 3-[4-[2-(2-chlorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid?
The InChIKey is XFQWZHYEDXFJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3/c1-28-23-9-8-19(15-20(23)16-27-28)21-14-17(7-11-25(29)30)6-10-24(21)31-13-12-18-4-2-3-5-22(18)26/h2-6,8-10,14-16H,7,11-13H2,1H3,(H,29,30).
What are the key properties of 3-[4-[2-(2-chlorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid?
3-[4-[2-(2-chlorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid has a molecular weight of 434.92 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-chlorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid is sourced from PubChem (CID 22558732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).