3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline

C18H24N4O2Si — CID 141450408

IUPAC3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline
SMILESC[Si](C)(C)CCOCn1ccc2nc(Oc3cccc(N)c3)cnc21
InChIInChI=1S/C18H24N4O2Si/c1-25(2,3)10-9-23-13-22-8-7-16-18(22)20-12-17(21-16)24-15-6-4-5-14(19)11-15/h4-8,11-12H,9-10,13,19H2,1-3H3
InChIKeyAKZSLJARYPCMIM-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.12
Rot. Bonds7

About 3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline

3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline (PubChem CID 141450408) has the molecular formula C18H24N4O2Si and a molecular weight of 356.50 g/mol. Its IUPAC name is 3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline.

Molecular Properties

Compound Name3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline
PubChem CID141450408
Molecular FormulaC18H24N4O2Si
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline
SMILESC[Si](C)(C)CCOCn1ccc2nc(Oc3cccc(N)c3)cnc21
InChIInChI=1S/C18H24N4O2Si/c1-25(2,3)10-9-23-13-22-8-7-16-18(22)20-12-17(21-16)24-15-6-4-5-14(19)11-15/h4-8,11-12H,9-10,13,19H2,1-3H3
InChIKeyAKZSLJARYPCMIM-UHFFFAOYSA-N
XLogP4.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 58243790
trimethyl-[2-(pyrrolo[2,3-d]pyrimidin-7-ylmethoxy)ethyl]silane
CID 58172492
3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 113296761
1-[(1-acetylpiperidin-4-yl)methyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67385825
5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine
CID 123674189
1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67431269
2-[(6-methyl-2-pyridinyl)oxy]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 67125213
3-[(6-ethoxy-2-pyridinyl)oxy]aniline
CID 63591311
N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine
CID 58177295
1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride
CID 67385466
1-[(3S)-pyrrolidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;trihydrochloride
CID 67386331
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 71258387

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline?
The IUPAC name of 3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline (CID 141450408) is 3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline.
What is the SMILES notation for 3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline?
The canonical SMILES for 3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline is C[Si](C)(C)CCOCn1ccc2nc(Oc3cccc(N)c3)cnc21.
What is the InChIKey of 3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline?
The InChIKey is AKZSLJARYPCMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2Si/c1-25(2,3)10-9-23-13-22-8-7-16-18(22)20-12-17(21-16)24-15-6-4-5-14(19)11-15/h4-8,11-12H,9-10,13,19H2,1-3H3.
What are the key properties of 3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline?
3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline has a molecular weight of 356.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline is sourced from PubChem (CID 141450408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).