2-[[5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C16H21BrN4OSi — CID 67587751

IUPAC2-[[5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2cn[nH]c2)c2cc(Br)cnc21
InChIInChI=1S/C16H21BrN4OSi/c1-23(2,3)5-4-22-11-21-10-15(12-7-19-20-8-12)14-6-13(17)9-18-16(14)21/h6-10H,4-5,11H2,1-3H3,(H,19,20)
InChIKeyJZTAZQRWKXDJNX-UHFFFAOYSA-N
MW393.36 g/mol
LogP4.50
Rot. Bonds6

About 2-[[5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 67587751) has the molecular formula C16H21BrN4OSi and a molecular weight of 393.36 g/mol. Its IUPAC name is 2-[[5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID67587751
Molecular FormulaC16H21BrN4OSi
Molecular Weight393.36 g/mol
Exact Mass392.07
IUPAC Name2-[[5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2cn[nH]c2)c2cc(Br)cnc21
InChIInChI=1S/C16H21BrN4OSi/c1-23(2,3)5-4-22-11-21-10-15(12-7-19-20-8-12)14-6-13(17)9-18-16(14)21/h6-10H,4-5,11H2,1-3H3,(H,19,20)
InChIKeyJZTAZQRWKXDJNX-UHFFFAOYSA-N
XLogP4.50
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 67587751) is 2-[[5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2cn[nH]c2)c2cc(Br)cnc21.
What is the InChIKey of 2-[[5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is JZTAZQRWKXDJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4OSi/c1-23(2,3)5-4-22-11-21-10-15(12-7-19-20-8-12)14-6-13(17)9-18-16(14)21/h6-10H,4-5,11H2,1-3H3,(H,19,20).
What are the key properties of 2-[[5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 393.36 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 67587751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).