N-[6-(4-ethylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide

C25H35N3O2Si — CID 22319583

IUPACN-[6-(4-ethylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(CC)cc3)ccc12
InChIInChI=1S/C25H35N3O2Si/c1-6-8-24(29)26-25-22-14-13-21(20-11-9-19(7-2)10-12-20)17-23(22)28(27-25)18-30-15-16-31(3,4)5/h9-14,17H,6-8,15-16,18H2,1-5H3,(H,26,27,29)
InChIKeyOMJHZJSGARVZOD-UHFFFAOYSA-N
MW437.66 g/mol
LogP6.32
Rot. Bonds10

About N-[6-(4-ethylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide

N-[6-(4-ethylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide (PubChem CID 22319583) has the molecular formula C25H35N3O2Si and a molecular weight of 437.66 g/mol. Its IUPAC name is N-[6-(4-ethylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(4-ethylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
PubChem CID22319583
Molecular FormulaC25H35N3O2Si
Molecular Weight437.66 g/mol
Exact Mass437.25
IUPAC NameN-[6-(4-ethylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(CC)cc3)ccc12
InChIInChI=1S/C25H35N3O2Si/c1-6-8-24(29)26-25-22-14-13-21(20-11-9-19(7-2)10-12-20)17-23(22)28(27-25)18-30-15-16-31(3,4)5/h9-14,17H,6-8,15-16,18H2,1-5H3,(H,26,27,29)
InChIKeyOMJHZJSGARVZOD-UHFFFAOYSA-N
XLogP6.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.66
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[6-(4-ethylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide 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 N-[6-(4-ethylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The IUPAC name of N-[6-(4-ethylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide (CID 22319583) is N-[6-(4-ethylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(4-ethylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The canonical SMILES for N-[6-(4-ethylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide is CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(CC)cc3)ccc12.
What is the InChIKey of N-[6-(4-ethylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The InChIKey is OMJHZJSGARVZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2Si/c1-6-8-24(29)26-25-22-14-13-21(20-11-9-19(7-2)10-12-20)17-23(22)28(27-25)18-30-15-16-31(3,4)5/h9-14,17H,6-8,15-16,18H2,1-5H3,(H,26,27,29).
What are the key properties of N-[6-(4-ethylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
N-[6-(4-ethylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide has a molecular weight of 437.66 g/mol, XLogP of 6.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide is sourced from PubChem (CID 22319583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).