tert-butyl N-[[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methyl]carbamate

C19H30FN3O3Si — CID 86762618

IUPACtert-butyl N-[[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc2ccn(COCC[Si](C)(C)C)c2cc1F
InChIInChI=1S/C19H30FN3O3Si/c1-19(2,3)26-18(24)21-12-16-14(20)11-17-15(22-16)7-8-23(17)13-25-9-10-27(4,5)6/h7-8,11H,9-10,12-13H2,1-6H3,(H,21,24)
InChIKeyWDSQXIVLYAVAOQ-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.51
Rot. Bonds7

About tert-butyl N-[[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methyl]carbamate

tert-butyl N-[[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methyl]carbamate (PubChem CID 86762618) has the molecular formula C19H30FN3O3Si and a molecular weight of 395.55 g/mol. Its IUPAC name is tert-butyl N-[[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methyl]carbamate
PubChem CID86762618
Molecular FormulaC19H30FN3O3Si
Molecular Weight395.55 g/mol
Exact Mass395.20
IUPAC Nametert-butyl N-[[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc2ccn(COCC[Si](C)(C)C)c2cc1F
InChIInChI=1S/C19H30FN3O3Si/c1-19(2,3)26-18(24)21-12-16-14(20)11-17-15(22-16)7-8-23(17)13-25-9-10-27(4,5)6/h7-8,11H,9-10,12-13H2,1-6H3,(H,21,24)
InChIKeyWDSQXIVLYAVAOQ-UHFFFAOYSA-N
XLogP4.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methyl]carbamate (CID 86762618) is tert-butyl N-[[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1nc2ccn(COCC[Si](C)(C)C)c2cc1F.
What is the InChIKey of tert-butyl N-[[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methyl]carbamate?
The InChIKey is WDSQXIVLYAVAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O3Si/c1-19(2,3)26-18(24)21-12-16-14(20)11-17-15(22-16)7-8-23(17)13-25-9-10-27(4,5)6/h7-8,11H,9-10,12-13H2,1-6H3,(H,21,24).
What are the key properties of tert-butyl N-[[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methyl]carbamate?
tert-butyl N-[[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methyl]carbamate has a molecular weight of 395.55 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methyl]carbamate is sourced from PubChem (CID 86762618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).