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

C25H23ClN2O3 — CID 22559151

IUPAC3-[4-[(4-chlorophenyl)methoxy]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid
SMILESCCn1ncc2cc(-c3cc(CCC(=O)O)ccc3OCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C25H23ClN2O3/c1-2-28-23-10-7-19(14-20(23)15-27-28)22-13-17(6-12-25(29)30)5-11-24(22)31-16-18-3-8-21(26)9-4-18/h3-5,7-11,13-15H,2,6,12,16H2,1H3,(H,29,30)
InChIKeyXSICLFAIBGKRBD-UHFFFAOYSA-N
MW434.92 g/mol
LogP5.97
Rot. Bonds8

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

3-[4-[(4-chlorophenyl)methoxy]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid (PubChem CID 22559151) has the molecular formula C25H23ClN2O3 and a molecular weight of 434.92 g/mol. Its IUPAC name is 3-[4-[(4-chlorophenyl)methoxy]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4-chlorophenyl)methoxy]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid
PubChem CID22559151
Molecular FormulaC25H23ClN2O3
Molecular Weight434.92 g/mol
Exact Mass434.14
IUPAC Name3-[4-[(4-chlorophenyl)methoxy]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid
SMILESCCn1ncc2cc(-c3cc(CCC(=O)O)ccc3OCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C25H23ClN2O3/c1-2-28-23-10-7-19(14-20(23)15-27-28)22-13-17(6-12-25(29)30)5-11-24(22)31-16-18-3-8-21(26)9-4-18/h3-5,7-11,13-15H,2,6,12,16H2,1H3,(H,29,30)
InChIKeyXSICLFAIBGKRBD-UHFFFAOYSA-N
XLogP5.97
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 ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[[2-(4-Chlorophenyl)pyrazol-3-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
CID 59455552
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
2-[4-(Carboxymethoxy)-3-[5-(4-chlorophenyl)-1-(2-phenylethyl)pyrazol-3-yl]phenyl]acetic acid
CID 110077444
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
(3S)-3-[4-[[3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylindazol-6-yl]methoxy]phenyl]butanoic acid
CID 172444922
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-chlorophenyl)methoxy]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid?
The IUPAC name of 3-[4-[(4-chlorophenyl)methoxy]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid (CID 22559151) is 3-[4-[(4-chlorophenyl)methoxy]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(4-chlorophenyl)methoxy]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(4-chlorophenyl)methoxy]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid is CCn1ncc2cc(-c3cc(CCC(=O)O)ccc3OCc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 3-[4-[(4-chlorophenyl)methoxy]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid?
The InChIKey is XSICLFAIBGKRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3/c1-2-28-23-10-7-19(14-20(23)15-27-28)22-13-17(6-12-25(29)30)5-11-24(22)31-16-18-3-8-21(26)9-4-18/h3-5,7-11,13-15H,2,6,12,16H2,1H3,(H,29,30).
What are the key properties of 3-[4-[(4-chlorophenyl)methoxy]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid?
3-[4-[(4-chlorophenyl)methoxy]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid has a molecular weight of 434.92 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-chlorophenyl)methoxy]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid is sourced from PubChem (CID 22559151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).