2-(1H-indol-5-yloxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H31N5O3Si — CID 67009071

IUPAC2-(1H-indol-5-yloxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3ccc4[nH]ccc4c3)nc12
InChIInChI=1S/C24H31N5O3Si/c1-5-9-26-24(30)19-15-29(16-31-11-12-33(2,3)4)23-22(19)28-21(14-27-23)32-18-6-7-20-17(13-18)8-10-25-20/h6-8,10,13-15,25H,5,9,11-12,16H2,1-4H3,(H,26,30)
InChIKeyBMNHBBNYHPAKCO-UHFFFAOYSA-N
MW465.63 g/mol
LogP5.16
Rot. Bonds10

About 2-(1H-indol-5-yloxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(1H-indol-5-yloxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 67009071) has the molecular formula C24H31N5O3Si and a molecular weight of 465.63 g/mol. Its IUPAC name is 2-(1H-indol-5-yloxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(1H-indol-5-yloxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID67009071
Molecular FormulaC24H31N5O3Si
Molecular Weight465.63 g/mol
Exact Mass465.22
IUPAC Name2-(1H-indol-5-yloxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3ccc4[nH]ccc4c3)nc12
InChIInChI=1S/C24H31N5O3Si/c1-5-9-26-24(30)19-15-29(16-31-11-12-33(2,3)4)23-22(19)28-21(14-27-23)32-18-6-7-20-17(13-18)8-10-25-20/h6-8,10,13-15,25H,5,9,11-12,16H2,1-4H3,(H,26,30)
InChIKeyBMNHBBNYHPAKCO-UHFFFAOYSA-N
XLogP5.16
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.63
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(1H-indol-5-yloxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(1H-indol-5-yloxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 67009071) is 2-(1H-indol-5-yloxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(1H-indol-5-yloxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(1H-indol-5-yloxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3ccc4[nH]ccc4c3)nc12.
What is the InChIKey of 2-(1H-indol-5-yloxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is BMNHBBNYHPAKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3Si/c1-5-9-26-24(30)19-15-29(16-31-11-12-33(2,3)4)23-22(19)28-21(14-27-23)32-18-6-7-20-17(13-18)8-10-25-20/h6-8,10,13-15,25H,5,9,11-12,16H2,1-4H3,(H,26,30).
What are the key properties of 2-(1H-indol-5-yloxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(1H-indol-5-yloxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 465.63 g/mol, XLogP of 5.16, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yloxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 67009071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).