tert-butyl 3-methyl-5-(2-trimethylsilylethynyl)indazole-1-carboxylate

C18H24N2O2Si — CID 91263951

IUPACtert-butyl 3-methyl-5-(2-trimethylsilylethynyl)indazole-1-carboxylate
SMILESCc1nn(C(=O)OC(C)(C)C)c2ccc(C#C[Si](C)(C)C)cc12
InChIInChI=1S/C18H24N2O2Si/c1-13-15-12-14(10-11-23(5,6)7)8-9-16(15)20(19-13)17(21)22-18(2,3)4/h8-9,12H,1-7H3
InChIKeyUFZVTVISNBZWNV-UHFFFAOYSA-N
MW328.49 g/mol
LogP4.36
Rot. Bonds

About tert-butyl 3-methyl-5-(2-trimethylsilylethynyl)indazole-1-carboxylate

tert-butyl 3-methyl-5-(2-trimethylsilylethynyl)indazole-1-carboxylate (PubChem CID 91263951) has the molecular formula C18H24N2O2Si and a molecular weight of 328.49 g/mol. Its IUPAC name is tert-butyl 3-methyl-5-(2-trimethylsilylethynyl)indazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-5-(2-trimethylsilylethynyl)indazole-1-carboxylate
PubChem CID91263951
Molecular FormulaC18H24N2O2Si
Molecular Weight328.49 g/mol
Exact Mass328.16
IUPAC Nametert-butyl 3-methyl-5-(2-trimethylsilylethynyl)indazole-1-carboxylate
SMILESCc1nn(C(=O)OC(C)(C)C)c2ccc(C#C[Si](C)(C)C)cc12
InChIInChI=1S/C18H24N2O2Si/c1-13-15-12-14(10-11-23(5,6)7)8-9-16(15)20(19-13)17(21)22-18(2,3)4/h8-9,12H,1-7H3
InChIKeyUFZVTVISNBZWNV-UHFFFAOYSA-N
XLogP4.36
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 5-[2-[2-(2-chloropyrimidin-4-yl)pyrimidin-4-yl]ethynyl]-3-methylindazole-1-carboxylate
CID 162683288
tert-butyl 3-methyl-5-(3-oxopropoxy)indazole-1-carboxylate
CID 174934572
tert-butyl 6-(2-trimethylsilylethynyl)-2,3-dihydroindole-1-carboxylate
CID 152530989
tert-butyl 6-(4-fluorophenoxy)-3-methylindazole-1-carboxylate
CID 76852757
tert-butyl 5-bromo-3-iodoindazole-1-carboxylate
CID 53439660
tert-butyl 5-bromo-3-cyanoindazole-1-carboxylate
CID 163203492
ditert-butyl 5-bromoindazole-1,3-dicarboxylate
CID 68993188
tert-butyl 3-amino-6-methylindazole-1-carboxylate
CID 71659334
tert-butyl 3-methoxy-6-methylindazole-1-carboxylate
CID 70660035
tert-butyl 3-(methylamino)indazole-1-carboxylate
CID 175803932
tert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate
CID 70982737
tert-butyl 5-bromo-3-pyridin-4-ylindazole-1-carboxylate
CID 67517467

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-5-(2-trimethylsilylethynyl)indazole-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-5-(2-trimethylsilylethynyl)indazole-1-carboxylate (CID 91263951) is tert-butyl 3-methyl-5-(2-trimethylsilylethynyl)indazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-5-(2-trimethylsilylethynyl)indazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-5-(2-trimethylsilylethynyl)indazole-1-carboxylate is Cc1nn(C(=O)OC(C)(C)C)c2ccc(C#C[Si](C)(C)C)cc12.
What is the InChIKey of tert-butyl 3-methyl-5-(2-trimethylsilylethynyl)indazole-1-carboxylate?
The InChIKey is UFZVTVISNBZWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2Si/c1-13-15-12-14(10-11-23(5,6)7)8-9-16(15)20(19-13)17(21)22-18(2,3)4/h8-9,12H,1-7H3.
What are the key properties of tert-butyl 3-methyl-5-(2-trimethylsilylethynyl)indazole-1-carboxylate?
tert-butyl 3-methyl-5-(2-trimethylsilylethynyl)indazole-1-carboxylate has a molecular weight of 328.49 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-5-(2-trimethylsilylethynyl)indazole-1-carboxylate is sourced from PubChem (CID 91263951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).