2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]-N,N-dimethylethanamine

C18H30BrN3O2Si — CID 142547745

IUPAC2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOCc1cc2c(Br)ccnc2n1COCC[Si](C)(C)C
InChIInChI=1S/C18H30BrN3O2Si/c1-21(2)8-9-23-13-15-12-16-17(19)6-7-20-18(16)22(15)14-24-10-11-25(3,4)5/h6-7,12H,8-11,13-14H2,1-5H3
InChIKeyKNMJPRALRQZWMB-UHFFFAOYSA-N
MW428.45 g/mol
LogP4.19
Rot. Bonds10

About 2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]-N,N-dimethylethanamine

2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]-N,N-dimethylethanamine (PubChem CID 142547745) has the molecular formula C18H30BrN3O2Si and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]-N,N-dimethylethanamine
PubChem CID142547745
Molecular FormulaC18H30BrN3O2Si
Molecular Weight428.45 g/mol
Exact Mass427.13
IUPAC Name2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOCc1cc2c(Br)ccnc2n1COCC[Si](C)(C)C
InChIInChI=1S/C18H30BrN3O2Si/c1-21(2)8-9-23-13-15-12-16-17(19)6-7-20-18(16)22(15)14-24-10-11-25(3,4)5/h6-7,12H,8-11,13-14H2,1-5H3
InChIKeyKNMJPRALRQZWMB-UHFFFAOYSA-N
XLogP4.19
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
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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Related Compounds

N,N-dimethyl-2-[[4-pyrazolo[1,5-b]pyridazin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]ethanamine
CID 142547769
2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 168933803
2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 162760836
2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 58368344
2-[[2-(4-bromo-2-pyridinyl)-4,5-dimethylimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140796375
2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 174596817
2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 140923779
2-[(4-chloro-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 77230728
2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[2-(3H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine
CID 123455597
2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 21081676
4-[4,5-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-N,N-dimethyl-1H-imidazo[4,5-c]pyridin-2-amine
CID 53238799
2-[(3-bromo-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane
CID 141466960

Frequently Asked Questions

What is the IUPAC name of 2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]-N,N-dimethylethanamine (CID 142547745) is 2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]-N,N-dimethylethanamine is CN(C)CCOCc1cc2c(Br)ccnc2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]-N,N-dimethylethanamine?
The InChIKey is KNMJPRALRQZWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrN3O2Si/c1-21(2)8-9-23-13-15-12-16-17(19)6-7-20-18(16)22(15)14-24-10-11-25(3,4)5/h6-7,12H,8-11,13-14H2,1-5H3.
What are the key properties of 2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]-N,N-dimethylethanamine?
2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]-N,N-dimethylethanamine has a molecular weight of 428.45 g/mol, XLogP of 4.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 142547745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).