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

C23H29N5O3Si — CID 67008181

IUPAC2-(3-cyanophenoxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3cccc(C#N)c3)nc12
InChIInChI=1S/C23H29N5O3Si/c1-5-9-25-23(29)19-15-28(16-30-10-11-32(2,3)4)22-21(19)27-20(14-26-22)31-18-8-6-7-17(12-18)13-24/h6-8,12,14-15H,5,9-11,16H2,1-4H3,(H,25,29)
InChIKeyULVLKXQNWWLYSG-UHFFFAOYSA-N
MW451.60 g/mol
LogP4.55
Rot. Bonds10

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

2-(3-cyanophenoxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 67008181) has the molecular formula C23H29N5O3Si and a molecular weight of 451.60 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID67008181
Molecular FormulaC23H29N5O3Si
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC Name2-(3-cyanophenoxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3cccc(C#N)c3)nc12
InChIInChI=1S/C23H29N5O3Si/c1-5-9-25-23(29)19-15-28(16-30-10-11-32(2,3)4)22-21(19)27-20(14-26-22)31-18-8-6-7-17(12-18)13-24/h6-8,12,14-15H,5,9-11,16H2,1-4H3,(H,25,29)
InChIKeyULVLKXQNWWLYSG-UHFFFAOYSA-N
XLogP4.55
TPSA102.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
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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Related Compounds

CID 67008828
CID 67008828
CID 10743446
CID 10743446
CID 52942278
CID 52942278
CID 54673763
CID 54673763
CID 54674056
CID 54674056
CID 54674369
CID 54674369
CID 57766969
CID 57766969
CID 58522124
CID 58522124
CID 58522237
CID 58522237
CID 58522238
CID 58522238
CID 58522276
CID 58522276
CID 58522322
CID 58522322

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 67008181) is 2-(3-cyanophenoxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3cccc(C#N)c3)nc12.
What is the InChIKey of 2-(3-cyanophenoxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is ULVLKXQNWWLYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3Si/c1-5-9-25-23(29)19-15-28(16-30-10-11-32(2,3)4)22-21(19)27-20(14-26-22)31-18-8-6-7-17(12-18)13-24/h6-8,12,14-15H,5,9-11,16H2,1-4H3,(H,25,29).
What are the key properties of 2-(3-cyanophenoxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(3-cyanophenoxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 451.60 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 67008181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).