4-bromo-7H-cyclopenta[b]pyridine;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C21H25Br2N3OSi — CID 157444451

IUPAC4-bromo-7H-cyclopenta[b]pyridine;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESBrc1ccnc2c1C=CC2.C[Si](C)(C)CCOCn1ccc2c(Br)ccnc21
InChIInChI=1S/C13H19BrN2OSi.C8H6BrN/c1-18(2,3)9-8-17-10-16-7-5-11-12(14)4-6-15-13(11)16;9-7-4-5-10-8-3-1-2-6(7)8/h4-7H,8-10H2,1-3H3;1-2,4-5H,3H2
InChIKeyBSBAMJKRKJWTND-UHFFFAOYSA-N
MW523.35 g/mol
LogP6.52
Rot. Bonds5

About 4-bromo-7H-cyclopenta[b]pyridine;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

4-bromo-7H-cyclopenta[b]pyridine;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 157444451) has the molecular formula C21H25Br2N3OSi and a molecular weight of 523.35 g/mol. Its IUPAC name is 4-bromo-7H-cyclopenta[b]pyridine;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name4-bromo-7H-cyclopenta[b]pyridine;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID157444451
Molecular FormulaC21H25Br2N3OSi
Molecular Weight523.35 g/mol
Exact Mass521.01
IUPAC Name4-bromo-7H-cyclopenta[b]pyridine;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESBrc1ccnc2c1C=CC2.C[Si](C)(C)CCOCn1ccc2c(Br)ccnc21
InChIInChI=1S/C13H19BrN2OSi.C8H6BrN/c1-18(2,3)9-8-17-10-16-7-5-11-12(14)4-6-15-13(11)16;9-7-4-5-10-8-3-1-2-6(7)8/h4-7H,8-10H2,1-3H3;1-2,4-5H,3H2
InChIKeyBSBAMJKRKJWTND-UHFFFAOYSA-N
XLogP6.52
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.35
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-Bromo-1-(triisopropylsilyl)-7-azaindole
CID 11473655
4-bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine
CID 57477561
5-Bromo-4-fluoro-1-[tris(1-methylethyl)silyl]-1H-pyrrolo[2,3-b]pyridine
CID 49758946
2-[(4-Fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 146169455
2-[(3-Bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 146169699
1-Benzyl-3-bromo-1H-pyrrolo[2,3-b]pyridine
CID 15455617
6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine
CID 155564083
1H-Pyrrolo[2,3-B]pyridine-1-carboxylic acid, 3-bromo-2-methyl-, methyl ester
CID 11402946
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester
CID 16202555
5-Bromo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine
CID 119087157
1H-Pyrrolo[2,3-B]pyridine, 3-bromo-1-[(1,1-dimethylethyl)dimethylsilyl]-
CID 21669151
5-Bromo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
CID 24229223

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7H-cyclopenta[b]pyridine;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 4-bromo-7H-cyclopenta[b]pyridine;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 157444451) is 4-bromo-7H-cyclopenta[b]pyridine;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 4-bromo-7H-cyclopenta[b]pyridine;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 4-bromo-7H-cyclopenta[b]pyridine;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is Brc1ccnc2c1C=CC2.C[Si](C)(C)CCOCn1ccc2c(Br)ccnc21.
What is the InChIKey of 4-bromo-7H-cyclopenta[b]pyridine;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is BSBAMJKRKJWTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OSi.C8H6BrN/c1-18(2,3)9-8-17-10-16-7-5-11-12(14)4-6-15-13(11)16;9-7-4-5-10-8-3-1-2-6(7)8/h4-7H,8-10H2,1-3H3;1-2,4-5H,3H2.
What are the key properties of 4-bromo-7H-cyclopenta[b]pyridine;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
4-bromo-7H-cyclopenta[b]pyridine;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 523.35 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7H-cyclopenta[b]pyridine;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 157444451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).