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

C17H23BrN4OSi — CID 66597689

IUPAC2-[[4-(4-bromo-3-methylpyrazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1nn(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cc1Br
InChIInChI=1S/C17H23BrN4OSi/c1-13-15(18)11-22(20-13)16-5-7-19-17-14(16)6-8-21(17)12-23-9-10-24(2,3)4/h5-8,11H,9-10,12H2,1-4H3
InChIKeyMOYLLJUBCLOWMO-UHFFFAOYSA-N
MW407.39 g/mol
LogP4.61
Rot. Bonds6

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

2-[[4-(4-bromo-3-methylpyrazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 66597689) has the molecular formula C17H23BrN4OSi and a molecular weight of 407.39 g/mol. Its IUPAC name is 2-[[4-(4-bromo-3-methylpyrazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(4-bromo-3-methylpyrazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID66597689
Molecular FormulaC17H23BrN4OSi
Molecular Weight407.39 g/mol
Exact Mass406.08
IUPAC Name2-[[4-(4-bromo-3-methylpyrazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1nn(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cc1Br
InChIInChI=1S/C17H23BrN4OSi/c1-13-15(18)11-22(20-13)16-5-7-19-17-14(16)6-8-21(17)12-23-9-10-24(2,3)4/h5-8,11H,9-10,12H2,1-4H3
InChIKeyMOYLLJUBCLOWMO-UHFFFAOYSA-N
XLogP4.61
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 54.61
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'}

Analyze 2-[[4-(4-bromo-3-methylpyrazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-bromo-3-methylpyrazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(4-bromo-3-methylpyrazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 66597689) is 2-[[4-(4-bromo-3-methylpyrazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(4-bromo-3-methylpyrazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(4-bromo-3-methylpyrazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is Cc1nn(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cc1Br.
What is the InChIKey of 2-[[4-(4-bromo-3-methylpyrazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is MOYLLJUBCLOWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4OSi/c1-13-15(18)11-22(20-13)16-5-7-19-17-14(16)6-8-21(17)12-23-9-10-24(2,3)4/h5-8,11H,9-10,12H2,1-4H3.
What are the key properties of 2-[[4-(4-bromo-3-methylpyrazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(4-bromo-3-methylpyrazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 407.39 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-bromo-3-methylpyrazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 66597689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).