2-[tert-butyl(dimethyl)silyl]oxyethyl-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]diazene

C21H30FN3OSi — CID 91496028

IUPAC2-[tert-butyl(dimethyl)silyl]oxyethyl-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]diazene
SMILESCC(C)(C)[Si](C)(C)OCC/N=N/C(Cc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C21H30FN3OSi/c1-21(2,3)27(4,5)26-15-14-24-25-20(16-17-10-12-23-13-11-17)18-6-8-19(22)9-7-18/h6-13,20H,14-16H2,1-5H3/b25-24+
InChIKeyJZDLAAVNRSYZRB-OCOZRVBESA-N
MW387.58 g/mol
LogP5.98
Rot. Bonds8

About 2-[tert-butyl(dimethyl)silyl]oxyethyl-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]diazene

2-[tert-butyl(dimethyl)silyl]oxyethyl-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]diazene (PubChem CID 91496028) has the molecular formula C21H30FN3OSi and a molecular weight of 387.58 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxyethyl-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]diazene.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxyethyl-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]diazene
PubChem CID91496028
Molecular FormulaC21H30FN3OSi
Molecular Weight387.58 g/mol
Exact Mass387.21
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxyethyl-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]diazene
SMILESCC(C)(C)[Si](C)(C)OCC/N=N/C(Cc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C21H30FN3OSi/c1-21(2,3)27(4,5)26-15-14-24-25-20(16-17-10-12-23-13-11-17)18-6-8-19(22)9-7-18/h6-13,20H,14-16H2,1-5H3/b25-24+
InChIKeyJZDLAAVNRSYZRB-OCOZRVBESA-N
XLogP5.98
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.58
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[tert-butyl(dimethyl)silyl]oxyethyl-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]diazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[(2R)-2-methyl-3-pyridin-4-ylpropoxy]silane
CID 134942464
1-(4-fluorophenyl)-2-pyridin-4-ylethanol
CID 62553094
4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine
CID 66452680
[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105192807
2-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine
CID 10424667
1-(4-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553272
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone
CID 68881555
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine
CID 66459574
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]ethanol
CID 70662083
3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine
CID 77463781
tert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane
CID 153432727

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyethyl-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]diazene?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyethyl-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]diazene (CID 91496028) is 2-[tert-butyl(dimethyl)silyl]oxyethyl-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]diazene.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxyethyl-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]diazene?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxyethyl-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]diazene is CC(C)(C)[Si](C)(C)OCC/N=N/C(Cc1ccncc1)c1ccc(F)cc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxyethyl-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]diazene?
The InChIKey is JZDLAAVNRSYZRB-OCOZRVBESA-N. The full InChI is InChI=1S/C21H30FN3OSi/c1-21(2,3)27(4,5)26-15-14-24-25-20(16-17-10-12-23-13-11-17)18-6-8-19(22)9-7-18/h6-13,20H,14-16H2,1-5H3/b25-24+.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxyethyl-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]diazene?
2-[tert-butyl(dimethyl)silyl]oxyethyl-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]diazene has a molecular weight of 387.58 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxyethyl-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]diazene is sourced from PubChem (CID 91496028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).