2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C23H29N5O3Si — CID 58522131

IUPAC2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3cccc(C#N)c3)nc12
InChIInChI=1S/C23H29N5O3Si/c1-16(2)26-23(29)19-14-28(15-30-9-10-32(3,4)5)22-21(19)27-20(13-25-22)31-18-8-6-7-17(11-18)12-24/h6-8,11,13-14,16H,9-10,15H2,1-5H3,(H,26,29)
InChIKeyZBRJRYDEZVZTNY-UHFFFAOYSA-N
MW451.60 g/mol
LogP4.55
Rot. Bonds9

About 2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 58522131) has the molecular formula C23H29N5O3Si and a molecular weight of 451.60 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID58522131
Molecular FormulaC23H29N5O3Si
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC Name2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3cccc(C#N)c3)nc12
InChIInChI=1S/C23H29N5O3Si/c1-16(2)26-23(29)19-14-28(15-30-9-10-32(3,4)5)22-21(19)27-20(13-25-22)31-18-8-6-7-17(11-18)12-24/h6-8,11,13-14,16H,9-10,15H2,1-5H3,(H,26,29)
InChIKeyZBRJRYDEZVZTNY-UHFFFAOYSA-N
XLogP4.55
TPSA102.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 58522131) is 2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3cccc(C#N)c3)nc12.
What is the InChIKey of 2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is ZBRJRYDEZVZTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3Si/c1-16(2)26-23(29)19-14-28(15-30-9-10-32(3,4)5)22-21(19)27-20(13-25-22)31-18-8-6-7-17(11-18)12-24/h6-8,11,13-14,16H,9-10,15H2,1-5H3,(H,26,29).
What are the key properties of 2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 451.60 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 58522131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).