5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

C17H24BrN3O3Si — CID 175983804

IUPAC5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESC[Si](C)(C)CCOCn1cc(C(=O)NC2COC2)c2cc(Br)cnc21
InChIInChI=1S/C17H24BrN3O3Si/c1-25(2,3)5-4-23-11-21-8-15(17(22)20-13-9-24-10-13)14-6-12(18)7-19-16(14)21/h6-8,13H,4-5,9-11H2,1-3H3,(H,20,22)
InChIKeyYOXZHPBQTMOLPT-UHFFFAOYSA-N
MW426.39 g/mol
LogP3.24
Rot. Bonds7

About 5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 175983804) has the molecular formula C17H24BrN3O3Si and a molecular weight of 426.39 g/mol. Its IUPAC name is 5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID175983804
Molecular FormulaC17H24BrN3O3Si
Molecular Weight426.39 g/mol
Exact Mass425.08
IUPAC Name5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESC[Si](C)(C)CCOCn1cc(C(=O)NC2COC2)c2cc(Br)cnc21
InChIInChI=1S/C17H24BrN3O3Si/c1-25(2,3)5-4-23-11-21-8-15(17(22)20-13-9-24-10-13)14-6-12(18)7-19-16(14)21/h6-8,13H,4-5,9-11H2,1-3H3,(H,20,22)
InChIKeyYOXZHPBQTMOLPT-UHFFFAOYSA-N
XLogP3.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 53.24
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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Related Compounds

N-[(3R,5S)-5-aminooxan-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71574172
2-[(5-bromo-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 59297026
2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole-4-carboxylic acid
CID 175080684
[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]methanone
CID 170548659
2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 71562636
2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522279
(3R)-1-benzylpyrrolidin-3-amine;N-[(3R)-1-benzylpyrrolidin-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 159331055
tert-butyl N-[3-[[2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]cyclobutyl]carbamate
CID 71279534
2-bromo-N-(4-methylpiperidin-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71574168
4-[[4-cyclobutyloxy-5-[4-(methylcarbamoyl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide
CID 86726455
4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide
CID 59292010
5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 145183128

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 175983804) is 5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is C[Si](C)(C)CCOCn1cc(C(=O)NC2COC2)c2cc(Br)cnc21.
What is the InChIKey of 5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is YOXZHPBQTMOLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O3Si/c1-25(2,3)5-4-23-11-21-8-15(17(22)20-13-9-24-10-13)14-6-12(18)7-19-16(14)21/h6-8,13H,4-5,9-11H2,1-3H3,(H,20,22).
What are the key properties of 5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 426.39 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 175983804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).