tert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane

C19H26ClIN4O2Si — CID 170550462

IUPACtert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
SMILESCOc1cc2c(I)cn(-c3cn(CCO[Si](C)(C)C(C)(C)C)nn3)c2cc1Cl
InChIInChI=1S/C19H26ClIN4O2Si/c1-19(2,3)28(5,6)27-8-7-24-12-18(22-23-24)25-11-15(21)13-9-17(26-4)14(20)10-16(13)25/h9-12H,7-8H2,1-6H3
InChIKeySXHWEBYGRCBUSJ-UHFFFAOYSA-N
MW532.89 g/mol
LogP5.51
Rot. Bonds6

About tert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane (PubChem CID 170550462) has the molecular formula C19H26ClIN4O2Si and a molecular weight of 532.89 g/mol. Its IUPAC name is tert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
PubChem CID170550462
Molecular FormulaC19H26ClIN4O2Si
Molecular Weight532.89 g/mol
Exact Mass532.06
IUPAC Nametert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
SMILESCOc1cc2c(I)cn(-c3cn(CCO[Si](C)(C)C(C)(C)C)nn3)c2cc1Cl
InChIInChI=1S/C19H26ClIN4O2Si/c1-19(2,3)28(5,6)27-8-7-24-12-18(22-23-24)25-11-15(21)13-9-17(26-4)14(20)10-16(13)25/h9-12H,7-8H2,1-6H3
InChIKeySXHWEBYGRCBUSJ-UHFFFAOYSA-N
XLogP5.51
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.89
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-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-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane (CID 170550462) is tert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane is COc1cc2c(I)cn(-c3cn(CCO[Si](C)(C)C(C)(C)C)nn3)c2cc1Cl.
What is the InChIKey of tert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane?
The InChIKey is SXHWEBYGRCBUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClIN4O2Si/c1-19(2,3)28(5,6)27-8-7-24-12-18(22-23-24)25-11-15(21)13-9-17(26-4)14(20)10-16(13)25/h9-12H,7-8H2,1-6H3.
What are the key properties of tert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane has a molecular weight of 532.89 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 170550462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).