5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine

C20H27BrN4OSi — CID 58758514

IUPAC5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2cnc3c(c2)c(Br)cn3COCC[Si](C)(C)C)cn1
InChIInChI=1S/C20H27BrN4OSi/c1-24(2)19-7-6-15(11-22-19)16-10-17-18(21)13-25(20(17)23-12-16)14-26-8-9-27(3,4)5/h6-7,10-13H,8-9,14H2,1-5H3
InChIKeyJDHGKVGIFYMEOQ-UHFFFAOYSA-N
MW447.45 g/mol
LogP5.24
Rot. Bonds7

About 5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine

5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 58758514) has the molecular formula C20H27BrN4OSi and a molecular weight of 447.45 g/mol. Its IUPAC name is 5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine
PubChem CID58758514
Molecular FormulaC20H27BrN4OSi
Molecular Weight447.45 g/mol
Exact Mass446.11
IUPAC Name5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2cnc3c(c2)c(Br)cn3COCC[Si](C)(C)C)cn1
InChIInChI=1S/C20H27BrN4OSi/c1-24(2)19-7-6-15(11-22-19)16-10-17-18(21)13-25(20(17)23-12-16)14-26-8-9-27(3,4)5/h6-7,10-13H,8-9,14H2,1-5H3
InChIKeyJDHGKVGIFYMEOQ-UHFFFAOYSA-N
XLogP5.24
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.45
LogP ≤ 55.24
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

3-Bromo-1-methyl-7-azaindole
CID 11229587
1-(1-benzyl-5-bromopyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine
CID 145994109
4-Bromo-1-(triisopropylsilyl)-7-azaindole
CID 11473655
5-Bromo-1-methyl-1H-pyrrolo[2,3-b]pyridine
CID 15296269
5-Bromo-1-butyl-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridine
CID 145984915
1-Benzyl-5-bromo-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridine
CID 145992052
4-bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine
CID 57477561
1-(2-Bromo-4-isopropyl-phenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine
CID 10758707
1-[(2-Bromophenyl)methyl]-3-(5-cyclopropylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine
CID 172460336
1-[(3-Bromophenyl)methyl]-3-(5-cyclopropylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine
CID 172463474
5-Bromo-4-fluoro-1-[tris(1-methylethyl)silyl]-1H-pyrrolo[2,3-b]pyridine
CID 49758946
3-bromo-1-(tert-butyldimethylsilyl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57681126

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine (CID 58758514) is 5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(-c2cnc3c(c2)c(Br)cn3COCC[Si](C)(C)C)cn1.
What is the InChIKey of 5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is JDHGKVGIFYMEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN4OSi/c1-24(2)19-7-6-15(11-22-19)16-10-17-18(21)13-25(20(17)23-12-16)14-26-8-9-27(3,4)5/h6-7,10-13H,8-9,14H2,1-5H3.
What are the key properties of 5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine?
5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 447.45 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 58758514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).