tert-butyl-[2-[4-[6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane

C26H35ClN6O2Si — CID 170550442

IUPACtert-butyl-[2-[4-[6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(-n2cc(-c3cnn(C4CCCCO4)c3)c3ccc(Cl)cc32)nn1
InChIInChI=1S/C26H35ClN6O2Si/c1-26(2,3)36(4,5)35-13-11-31-18-24(29-30-31)32-17-22(21-10-9-20(27)14-23(21)32)19-15-28-33(16-19)25-8-6-7-12-34-25/h9-10,14-18,25H,6-8,11-13H2,1-5H3
InChIKeyTZHYTDSPYYVYCL-UHFFFAOYSA-N
MW527.15 g/mol
LogP6.46
Rot. Bonds7

About tert-butyl-[2-[4-[6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[4-[6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane (PubChem CID 170550442) has the molecular formula C26H35ClN6O2Si and a molecular weight of 527.15 g/mol. Its IUPAC name is tert-butyl-[2-[4-[6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[4-[6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane
PubChem CID170550442
Molecular FormulaC26H35ClN6O2Si
Molecular Weight527.15 g/mol
Exact Mass526.23
IUPAC Nametert-butyl-[2-[4-[6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(-n2cc(-c3cnn(C4CCCCO4)c3)c3ccc(Cl)cc32)nn1
InChIInChI=1S/C26H35ClN6O2Si/c1-26(2,3)36(4,5)35-13-11-31-18-24(29-30-31)32-17-22(21-10-9-20(27)14-23(21)32)19-15-28-33(16-19)25-8-6-7-12-34-25/h9-10,14-18,25H,6-8,11-13H2,1-5H3
InChIKeyTZHYTDSPYYVYCL-UHFFFAOYSA-N
XLogP6.46
TPSA71.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.15
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[4-[6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[4-[6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane (CID 170550442) is tert-butyl-[2-[4-[6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[4-[6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[4-[6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCn1cc(-n2cc(-c3cnn(C4CCCCO4)c3)c3ccc(Cl)cc32)nn1.
What is the InChIKey of tert-butyl-[2-[4-[6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane?
The InChIKey is TZHYTDSPYYVYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN6O2Si/c1-26(2,3)36(4,5)35-13-11-31-18-24(29-30-31)32-17-22(21-10-9-20(27)14-23(21)32)19-15-28-33(16-19)25-8-6-7-12-34-25/h9-10,14-18,25H,6-8,11-13H2,1-5H3.
What are the key properties of tert-butyl-[2-[4-[6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[4-[6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane has a molecular weight of 527.15 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[4-[6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 170550442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).