2-[methyl(methylcarbamoyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C16H25N5O4Si — CID 89453159

IUPAC2-[methyl(methylcarbamoyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCNC(=O)N(C)c1cnc2c(n1)c(C(=O)O)cn2COCC[Si](C)(C)C
InChIInChI=1S/C16H25N5O4Si/c1-17-16(24)20(2)12-8-18-14-13(19-12)11(15(22)23)9-21(14)10-25-6-7-26(3,4)5/h8-9H,6-7,10H2,1-5H3,(H,17,24)(H,22,23)
InChIKeyRHFUZPFGNVWUPK-UHFFFAOYSA-N
MW379.49 g/mol
LogP2.22
Rot. Bonds7

About 2-[methyl(methylcarbamoyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-[methyl(methylcarbamoyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 89453159) has the molecular formula C16H25N5O4Si and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-[methyl(methylcarbamoyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(methylcarbamoyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID89453159
Molecular FormulaC16H25N5O4Si
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC Name2-[methyl(methylcarbamoyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCNC(=O)N(C)c1cnc2c(n1)c(C(=O)O)cn2COCC[Si](C)(C)C
InChIInChI=1S/C16H25N5O4Si/c1-17-16(24)20(2)12-8-18-14-13(19-12)11(15(22)23)9-21(14)10-25-6-7-26(3,4)5/h8-9H,6-7,10H2,1-5H3,(H,17,24)(H,22,23)
InChIKeyRHFUZPFGNVWUPK-UHFFFAOYSA-N
XLogP2.22
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.22
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-[methyl(methylcarbamoyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[methyl(methylcarbamoyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 89453159) is 2-[methyl(methylcarbamoyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[methyl(methylcarbamoyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[methyl(methylcarbamoyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is CNC(=O)N(C)c1cnc2c(n1)c(C(=O)O)cn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[methyl(methylcarbamoyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is RHFUZPFGNVWUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4Si/c1-17-16(24)20(2)12-8-18-14-13(19-12)11(15(22)23)9-21(14)10-25-6-7-26(3,4)5/h8-9H,6-7,10H2,1-5H3,(H,17,24)(H,22,23).
What are the key properties of 2-[methyl(methylcarbamoyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[methyl(methylcarbamoyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 379.49 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylcarbamoyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 89453159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).