3-[5-[[4-(5-fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid

C24H21FN2O3 — CID 134805418

IUPAC3-[5-[[4-(5-fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
SMILESCc1ccc(F)cc1-c1ccc(COc2ccc3c(cnn3CCC(=O)O)c2)cc1
InChIInChI=1S/C24H21FN2O3/c1-16-2-7-20(25)13-22(16)18-5-3-17(4-6-18)15-30-21-8-9-23-19(12-21)14-26-27(23)11-10-24(28)29/h2-9,12-14H,10-11,15H2,1H3,(H,28,29)
InChIKeyBYDBZTBDNBOHSU-UHFFFAOYSA-N
MW404.44 g/mol
LogP5.20
Rot. Bonds7

About 3-[5-[[4-(5-fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid

3-[5-[[4-(5-fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid (PubChem CID 134805418) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is 3-[5-[[4-(5-fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[[4-(5-fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
PubChem CID134805418
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Name3-[5-[[4-(5-fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
SMILESCc1ccc(F)cc1-c1ccc(COc2ccc3c(cnn3CCC(=O)O)c2)cc1
InChIInChI=1S/C24H21FN2O3/c1-16-2-7-20(25)13-22(16)18-5-3-17(4-6-18)15-30-21-8-9-23-19(12-21)14-26-27(23)11-10-24(28)29/h2-9,12-14H,10-11,15H2,1H3,(H,28,29)
InChIKeyBYDBZTBDNBOHSU-UHFFFAOYSA-N
XLogP5.20
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.44
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-(5-fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[[4-(5-fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid (CID 134805418) is 3-[5-[[4-(5-fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[[4-(5-fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[[4-(5-fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid is Cc1ccc(F)cc1-c1ccc(COc2ccc3c(cnn3CCC(=O)O)c2)cc1.
What is the InChIKey of 3-[5-[[4-(5-fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid?
The InChIKey is BYDBZTBDNBOHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c1-16-2-7-20(25)13-22(16)18-5-3-17(4-6-18)15-30-21-8-9-23-19(12-21)14-26-27(23)11-10-24(28)29/h2-9,12-14H,10-11,15H2,1H3,(H,28,29).
What are the key properties of 3-[5-[[4-(5-fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid?
3-[5-[[4-(5-fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid has a molecular weight of 404.44 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[4-(5-fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid is sourced from PubChem (CID 134805418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).