2-[[4-[3-(fluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

C17H23FN4OSi — CID 157182212

IUPAC2-[[4-[3-(fluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(C3=C(CF)CN=C3)ncnc21
InChIInChI=1S/C17H23FN4OSi/c1-24(2,3)7-6-23-12-22-5-4-14-16(20-11-21-17(14)22)15-10-19-9-13(15)8-18/h4-5,10-11H,6-9,12H2,1-3H3
InChIKeyAORSPFQGWVJUDL-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.55
Rot. Bonds7

About 2-[[4-[3-(fluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

2-[[4-[3-(fluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (PubChem CID 157182212) has the molecular formula C17H23FN4OSi and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[[4-[3-(fluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[3-(fluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
PubChem CID157182212
Molecular FormulaC17H23FN4OSi
Molecular Weight346.48 g/mol
Exact Mass346.16
IUPAC Name2-[[4-[3-(fluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(C3=C(CF)CN=C3)ncnc21
InChIInChI=1S/C17H23FN4OSi/c1-24(2,3)7-6-23-12-22-5-4-14-16(20-11-21-17(14)22)15-10-19-9-13(15)8-18/h4-5,10-11H,6-9,12H2,1-3H3
InChIKeyAORSPFQGWVJUDL-UHFFFAOYSA-N
XLogP3.55
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.55
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(fluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[3-(fluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (CID 157182212) is 2-[[4-[3-(fluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[3-(fluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[3-(fluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2c(C3=C(CF)CN=C3)ncnc21.
What is the InChIKey of 2-[[4-[3-(fluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is AORSPFQGWVJUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4OSi/c1-24(2,3)7-6-23-12-22-5-4-14-16(20-11-21-17(14)22)15-10-19-9-13(15)8-18/h4-5,10-11H,6-9,12H2,1-3H3.
What are the key properties of 2-[[4-[3-(fluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[3-(fluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 346.48 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(fluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 157182212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).