4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic acid

C32H36N2O2 — CID 134304186

IUPAC4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic acid
SMILESCC(C)(C)c1ccc(-c2ccc3c(cnn3C(Cc3ccc(C(=O)O)cc3)C3CCCCC3)c2)cc1
InChIInChI=1S/C32H36N2O2/c1-32(2,3)28-16-13-23(14-17-28)26-15-18-29-27(20-26)21-33-34(29)30(24-7-5-4-6-8-24)19-22-9-11-25(12-10-22)31(35)36/h9-18,20-21,24,30H,4-8,19H2,1-3H3,(H,35,36)
InChIKeyZACUPUGUIMQDMS-UHFFFAOYSA-N
MW480.65 g/mol
LogP8.06
Rot. Bonds6

About 4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic acid

4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic acid (PubChem CID 134304186) has the molecular formula C32H36N2O2 and a molecular weight of 480.65 g/mol. Its IUPAC name is 4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic acid
PubChem CID134304186
Molecular FormulaC32H36N2O2
Molecular Weight480.65 g/mol
Exact Mass480.28
IUPAC Name4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic acid
SMILESCC(C)(C)c1ccc(-c2ccc3c(cnn3C(Cc3ccc(C(=O)O)cc3)C3CCCCC3)c2)cc1
InChIInChI=1S/C32H36N2O2/c1-32(2,3)28-16-13-23(14-17-28)26-15-18-29-27(20-26)21-33-34(29)30(24-7-5-4-6-8-24)19-22-9-11-25(12-10-22)31(35)36/h9-18,20-21,24,30H,4-8,19H2,1-3H3,(H,35,36)
InChIKeyZACUPUGUIMQDMS-UHFFFAOYSA-N
XLogP8.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic 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 4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic acid?
The IUPAC name of 4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic acid (CID 134304186) is 4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic acid.
What is the SMILES notation for 4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic acid?
The canonical SMILES for 4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic acid is CC(C)(C)c1ccc(-c2ccc3c(cnn3C(Cc3ccc(C(=O)O)cc3)C3CCCCC3)c2)cc1.
What is the InChIKey of 4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic acid?
The InChIKey is ZACUPUGUIMQDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O2/c1-32(2,3)28-16-13-23(14-17-28)26-15-18-29-27(20-26)21-33-34(29)30(24-7-5-4-6-8-24)19-22-9-11-25(12-10-22)31(35)36/h9-18,20-21,24,30H,4-8,19H2,1-3H3,(H,35,36).
What are the key properties of 4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic acid?
4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic acid has a molecular weight of 480.65 g/mol, XLogP of 8.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic acid is sourced from PubChem (CID 134304186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).