3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid

C23H25FN2O3 — CID 22558659

IUPAC3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid
SMILESCn1ncc2cc(-c3cc(CCC(=O)O)cc(F)c3OC3CCCCC3)ccc21
InChIInChI=1S/C23H25FN2O3/c1-26-21-9-8-16(13-17(21)14-25-26)19-11-15(7-10-22(27)28)12-20(24)23(19)29-18-5-3-2-4-6-18/h8-9,11-14,18H,2-7,10H2,1H3,(H,27,28)
InChIKeyWWLJZHNHORVGJW-UHFFFAOYSA-N
MW396.46 g/mol
LogP5.11
Rot. Bonds6

About 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid

3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid (PubChem CID 22558659) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid
PubChem CID22558659
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid
SMILESCn1ncc2cc(-c3cc(CCC(=O)O)cc(F)c3OC3CCCCC3)ccc21
InChIInChI=1S/C23H25FN2O3/c1-26-21-9-8-16(13-17(21)14-25-26)19-11-15(7-10-22(27)28)12-20(24)23(19)29-18-5-3-2-4-6-18/h8-9,11-14,18H,2-7,10H2,1H3,(H,27,28)
InChIKeyWWLJZHNHORVGJW-UHFFFAOYSA-N
XLogP5.11
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindazol-5-yl)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

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid?
The IUPAC name of 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid (CID 22558659) is 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid is Cn1ncc2cc(-c3cc(CCC(=O)O)cc(F)c3OC3CCCCC3)ccc21.
What is the InChIKey of 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid?
The InChIKey is WWLJZHNHORVGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-26-21-9-8-16(13-17(21)14-25-26)19-11-15(7-10-22(27)28)12-20(24)23(19)29-18-5-3-2-4-6-18/h8-9,11-14,18H,2-7,10H2,1H3,(H,27,28).
What are the key properties of 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid?
3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid has a molecular weight of 396.46 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid is sourced from PubChem (CID 22558659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).