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

C16H21FN4OSi — CID 58431395

IUPAC2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)c(F)cnc21
InChIInChI=1S/C16H21FN4OSi/c1-23(2,3)7-6-22-11-21-5-4-13-15(12-8-19-20-9-12)14(17)10-18-16(13)21/h4-5,8-10H,6-7,11H2,1-3H3,(H,19,20)
InChIKeyZKUHRYHTMWCMIK-UHFFFAOYSA-N
MW332.46 g/mol
LogP3.88
Rot. Bonds6

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

2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 58431395) has the molecular formula C16H21FN4OSi and a molecular weight of 332.46 g/mol. Its IUPAC name is 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID58431395
Molecular FormulaC16H21FN4OSi
Molecular Weight332.46 g/mol
Exact Mass332.15
IUPAC Name2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)c(F)cnc21
InChIInChI=1S/C16H21FN4OSi/c1-23(2,3)7-6-22-11-21-5-4-13-15(12-8-19-20-9-12)14(17)10-18-16(13)21/h4-5,8-10H,6-7,11H2,1-3H3,(H,19,20)
InChIKeyZKUHRYHTMWCMIK-UHFFFAOYSA-N
XLogP3.88
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'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-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 58431395) is 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)c(F)cnc21.
What is the InChIKey of 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ZKUHRYHTMWCMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4OSi/c1-23(2,3)7-6-22-11-21-5-4-13-15(12-8-19-20-9-12)14(17)10-18-16(13)21/h4-5,8-10H,6-7,11H2,1-3H3,(H,19,20).
What are the key properties of 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 332.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58431395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).