2-(4-tert-butyl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C22H30N4O3Si — CID 71236227

IUPAC2-(4-tert-butyl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCC(C)(C)c1ccnc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C22H30N4O3Si/c1-22(2,3)15-7-8-23-17(11-15)18-12-24-20-19(25-18)16(21(27)28)13-26(20)14-29-9-10-30(4,5)6/h7-8,11-13H,9-10,14H2,1-6H3,(H,27,28)
InChIKeyDFFFORRSSZIZDF-UHFFFAOYSA-N
MW426.59 g/mol
LogP4.80
Rot. Bonds7

About 2-(4-tert-butyl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-(4-tert-butyl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71236227) has the molecular formula C22H30N4O3Si and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(4-tert-butyl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71236227
Molecular FormulaC22H30N4O3Si
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name2-(4-tert-butyl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCC(C)(C)c1ccnc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C22H30N4O3Si/c1-22(2,3)15-7-8-23-17(11-15)18-12-24-20-19(25-18)16(21(27)28)13-26(20)14-29-9-10-30(4,5)6/h7-8,11-13H,9-10,14H2,1-6H3,(H,27,28)
InChIKeyDFFFORRSSZIZDF-UHFFFAOYSA-N
XLogP4.80
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 54.80
H-Bond Donors ≤ 51
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-(4-tert-butyl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(4-tert-butyl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71236227) is 2-(4-tert-butyl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(4-tert-butyl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(4-tert-butyl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is CC(C)(C)c1ccnc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c1.
What is the InChIKey of 2-(4-tert-butyl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is DFFFORRSSZIZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3Si/c1-22(2,3)15-7-8-23-17(11-15)18-12-24-20-19(25-18)16(21(27)28)13-26(20)14-29-9-10-30(4,5)6/h7-8,11-13H,9-10,14H2,1-6H3,(H,27,28).
What are the key properties of 2-(4-tert-butyl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(4-tert-butyl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 426.59 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71236227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).