2-trimethylsilylethyl N-[2-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]carbamate

C23H34N4O4Si — CID 140751816

IUPAC2-trimethylsilylethyl N-[2-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]carbamate
SMILESCc1[nH]c2ccc(OCCOc3ccn(C)n3)cc2c1CCNC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C23H34N4O4Si/c1-17-19(8-10-24-23(28)31-14-15-32(3,4)5)20-16-18(6-7-21(20)25-17)29-12-13-30-22-9-11-27(2)26-22/h6-7,9,11,16,25H,8,10,12-15H2,1-5H3,(H,24,28)
InChIKeyXNUXHAWIITYARI-UHFFFAOYSA-N
MW458.64 g/mol
LogP4.27
Rot. Bonds11

About 2-trimethylsilylethyl N-[2-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]carbamate

2-trimethylsilylethyl N-[2-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]carbamate (PubChem CID 140751816) has the molecular formula C23H34N4O4Si and a molecular weight of 458.64 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[2-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[2-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]carbamate
PubChem CID140751816
Molecular FormulaC23H34N4O4Si
Molecular Weight458.64 g/mol
Exact Mass458.23
IUPAC Name2-trimethylsilylethyl N-[2-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]carbamate
SMILESCc1[nH]c2ccc(OCCOc3ccn(C)n3)cc2c1CCNC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C23H34N4O4Si/c1-17-19(8-10-24-23(28)31-14-15-32(3,4)5)20-16-18(6-7-21(20)25-17)29-12-13-30-22-9-11-27(2)26-22/h6-7,9,11,16,25H,8,10,12-15H2,1-5H3,(H,24,28)
InChIKeyXNUXHAWIITYARI-UHFFFAOYSA-N
XLogP4.27
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.64
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]pentan-2-one
CID 148796620
1-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]-3-methylurea
CID 122697972
2-trimethylsilylethyl N-[2-[2-(hydroxymethyl)-5-phenylmethoxy-1H-indol-3-yl]ethyl]carbamate
CID 140751815
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
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4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide
CID 615130
(2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate
CID 68572367
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 98033031
2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086126
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 113085913
N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide
CID 617833
N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide
CID 617829

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-[2-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]carbamate?
The IUPAC name of 2-trimethylsilylethyl N-[2-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]carbamate (CID 140751816) is 2-trimethylsilylethyl N-[2-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[2-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[2-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]carbamate is Cc1[nH]c2ccc(OCCOc3ccn(C)n3)cc2c1CCNC(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl N-[2-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]carbamate?
The InChIKey is XNUXHAWIITYARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4Si/c1-17-19(8-10-24-23(28)31-14-15-32(3,4)5)20-16-18(6-7-21(20)25-17)29-12-13-30-22-9-11-27(2)26-22/h6-7,9,11,16,25H,8,10,12-15H2,1-5H3,(H,24,28).
What are the key properties of 2-trimethylsilylethyl N-[2-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]carbamate?
2-trimethylsilylethyl N-[2-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]carbamate has a molecular weight of 458.64 g/mol, XLogP of 4.27, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[2-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]carbamate is sourced from PubChem (CID 140751816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).