2-[[4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C28H33FN10OSi — CID 67499599

IUPAC2-[[4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCC1c2nnc(C)n2-c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1cnn(COCC[Si](C)(C)C)c1
InChIInChI=1S/C28H33FN10OSi/c1-6-23-27-35-34-19(2)38(27)24-16-31-28(37-12-11-30-25(37)20-7-9-21(29)10-8-20)33-26(24)39(23)22-15-32-36(17-22)18-40-13-14-41(3,4)5/h7-12,15-17,23H,6,13-14,18H2,1-5H3
InChIKeyRNFGLJLYNGDTOM-UHFFFAOYSA-N
MW572.73 g/mol
LogP5.47
Rot. Bonds9

About 2-[[4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 67499599) has the molecular formula C28H33FN10OSi and a molecular weight of 572.73 g/mol. Its IUPAC name is 2-[[4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID67499599
Molecular FormulaC28H33FN10OSi
Molecular Weight572.73 g/mol
Exact Mass572.26
IUPAC Name2-[[4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCC1c2nnc(C)n2-c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1cnn(COCC[Si](C)(C)C)c1
InChIInChI=1S/C28H33FN10OSi/c1-6-23-27-35-34-19(2)38(27)24-16-31-28(37-12-11-30-25(37)20-7-9-21(29)10-8-20)33-26(24)39(23)22-15-32-36(17-22)18-40-13-14-41(3,4)5/h7-12,15-17,23H,6,13-14,18H2,1-5H3
InChIKeyRNFGLJLYNGDTOM-UHFFFAOYSA-N
XLogP5.47
TPSA104.60 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500572.73
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 67499599) is 2-[[4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is CCC1c2nnc(C)n2-c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1cnn(COCC[Si](C)(C)C)c1.
What is the InChIKey of 2-[[4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is RNFGLJLYNGDTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN10OSi/c1-6-23-27-35-34-19(2)38(27)24-16-31-28(37-12-11-30-25(37)20-7-9-21(29)10-8-20)33-26(24)39(23)22-15-32-36(17-22)18-40-13-14-41(3,4)5/h7-12,15-17,23H,6,13-14,18H2,1-5H3.
What are the key properties of 2-[[4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 572.73 g/mol, XLogP of 5.47, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 67499599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).