tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane

C26H37NO2SSi — CID 67396126

IUPACtert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane
SMILESCOc1nc(C(=CCCO[Si](C)(C)C(C)(C)C)c2ccc(SC)cc2)ccc1C1CC1
InChIInChI=1S/C26H37NO2SSi/c1-26(2,3)31(6,7)29-18-8-9-22(19-12-14-21(30-5)15-13-19)24-17-16-23(20-10-11-20)25(27-24)28-4/h9,12-17,20H,8,10-11,18H2,1-7H3
InChIKeyGQQSNAOMFGRGGP-UHFFFAOYSA-N
MW455.74 g/mol
LogP7.53
Rot. Bonds9

About tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane

tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane (PubChem CID 67396126) has the molecular formula C26H37NO2SSi and a molecular weight of 455.74 g/mol. Its IUPAC name is tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane
PubChem CID67396126
Molecular FormulaC26H37NO2SSi
Molecular Weight455.74 g/mol
Exact Mass455.23
IUPAC Nametert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane
SMILESCOc1nc(C(=CCCO[Si](C)(C)C(C)(C)C)c2ccc(SC)cc2)ccc1C1CC1
InChIInChI=1S/C26H37NO2SSi/c1-26(2,3)31(6,7)29-18-8-9-22(19-12-14-21(30-5)15-13-19)24-17-16-23(20-10-11-20)25(27-24)28-4/h9,12-17,20H,8,10-11,18H2,1-7H3
InChIKeyGQQSNAOMFGRGGP-UHFFFAOYSA-N
XLogP7.53
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.74
LogP ≤ 57.53
H-Bond Donors ≤ 50
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 tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane 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 tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane (CID 67396126) is tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane is COc1nc(C(=CCCO[Si](C)(C)C(C)(C)C)c2ccc(SC)cc2)ccc1C1CC1.
What is the InChIKey of tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane?
The InChIKey is GQQSNAOMFGRGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2SSi/c1-26(2,3)31(6,7)29-18-8-9-22(19-12-14-21(30-5)15-13-19)24-17-16-23(20-10-11-20)25(27-24)28-4/h9,12-17,20H,8,10-11,18H2,1-7H3.
What are the key properties of tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane?
tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane has a molecular weight of 455.74 g/mol, XLogP of 7.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane is sourced from PubChem (CID 67396126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).