tert-butyl N-[2-[5-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]ethyl]carbamate

C21H35N3O4Si — CID 168946645

IUPACtert-butyl N-[2-[5-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]ethyl]carbamate
SMILESCOc1ccc2c(c1)c(CCNC(=O)OC(C)(C)C)nn2COCC[Si](C)(C)C
InChIInChI=1S/C21H35N3O4Si/c1-21(2,3)28-20(25)22-11-10-18-17-14-16(26-4)8-9-19(17)24(23-18)15-27-12-13-29(5,6)7/h8-9,14H,10-13,15H2,1-7H3,(H,22,25)
InChIKeyYIZXOZYLIUFWPR-UHFFFAOYSA-N
MW421.61 g/mol
LogP4.42
Rot. Bonds9

About tert-butyl N-[2-[5-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]ethyl]carbamate

tert-butyl N-[2-[5-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]ethyl]carbamate (PubChem CID 168946645) has the molecular formula C21H35N3O4Si and a molecular weight of 421.61 g/mol. Its IUPAC name is tert-butyl N-[2-[5-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]ethyl]carbamate
PubChem CID168946645
Molecular FormulaC21H35N3O4Si
Molecular Weight421.61 g/mol
Exact Mass421.24
IUPAC Nametert-butyl N-[2-[5-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]ethyl]carbamate
SMILESCOc1ccc2c(c1)c(CCNC(=O)OC(C)(C)C)nn2COCC[Si](C)(C)C
InChIInChI=1S/C21H35N3O4Si/c1-21(2,3)28-20(25)22-11-10-18-17-14-16(26-4)8-9-19(17)24(23-18)15-27-12-13-29(5,6)7/h8-9,14H,10-13,15H2,1-7H3,(H,22,25)
InChIKeyYIZXOZYLIUFWPR-UHFFFAOYSA-N
XLogP4.42
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate
CID 54577000
tert-butyl N-[2-[[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]-methylamino]ethyl]carbamate
CID 144697790
tert-butyl N-[3-[4-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]propyl]carbamate
CID 58382389
tert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate
CID 69031799
tert-butyl N-[2-[2-acetyl-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]ethyl]carbamate
CID 167346069
5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
CID 57495793
tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407
tert-butyl N-[2-[5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]thiophen-3-yl]carbamate
CID 86717532
tert-butyl N-[5-iodo-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]carbamate
CID 66851624
tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate
CID 11716285
tert-butyl N-[4-(2-amino-4-methoxyphenyl)but-3-enyl]carbamate
CID 170490551
methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 171830742

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]ethyl]carbamate (CID 168946645) is tert-butyl N-[2-[5-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]ethyl]carbamate is COc1ccc2c(c1)c(CCNC(=O)OC(C)(C)C)nn2COCC[Si](C)(C)C.
What is the InChIKey of tert-butyl N-[2-[5-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]ethyl]carbamate?
The InChIKey is YIZXOZYLIUFWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O4Si/c1-21(2,3)28-20(25)22-11-10-18-17-14-16(26-4)8-9-19(17)24(23-18)15-27-12-13-29(5,6)7/h8-9,14H,10-13,15H2,1-7H3,(H,22,25).
What are the key properties of tert-butyl N-[2-[5-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]ethyl]carbamate?
tert-butyl N-[2-[5-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]ethyl]carbamate has a molecular weight of 421.61 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]ethyl]carbamate is sourced from PubChem (CID 168946645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).