N-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C28H39N5O4Si — CID 67386157

IUPACN-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3ccccc3)nc12)C(=O)N1CCCC1
InChIInChI=1S/C28H39N5O4Si/c1-20(2)24(28(35)32-13-9-10-14-32)31-27(34)22-18-33(19-36-15-16-38(3,4)5)26-25(22)30-23(17-29-26)37-21-11-7-6-8-12-21/h6-8,11-12,17-18,20,24H,9-10,13-16,19H2,1-5H3,(H,31,34)/t24-/m1/s1
InChIKeyQWHSVSJJSOJDEG-XMMPIXPASA-N
MW537.74 g/mol
LogP4.91
Rot. Bonds11

About N-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 67386157) has the molecular formula C28H39N5O4Si and a molecular weight of 537.74 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID67386157
Molecular FormulaC28H39N5O4Si
Molecular Weight537.74 g/mol
Exact Mass537.28
IUPAC NameN-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3ccccc3)nc12)C(=O)N1CCCC1
InChIInChI=1S/C28H39N5O4Si/c1-20(2)24(28(35)32-13-9-10-14-32)31-27(34)22-18-33(19-36-15-16-38(3,4)5)26-25(22)30-23(17-29-26)37-21-11-7-6-8-12-21/h6-8,11-12,17-18,20,24H,9-10,13-16,19H2,1-5H3,(H,31,34)/t24-/m1/s1
InChIKeyQWHSVSJJSOJDEG-XMMPIXPASA-N
XLogP4.91
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.74
LogP ≤ 54.91
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'}

Analyze N-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 67386157) is N-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3ccccc3)nc12)C(=O)N1CCCC1.
What is the InChIKey of N-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is QWHSVSJJSOJDEG-XMMPIXPASA-N. The full InChI is InChI=1S/C28H39N5O4Si/c1-20(2)24(28(35)32-13-9-10-14-32)31-27(34)22-18-33(19-36-15-16-38(3,4)5)26-25(22)30-23(17-29-26)37-21-11-7-6-8-12-21/h6-8,11-12,17-18,20,24H,9-10,13-16,19H2,1-5H3,(H,31,34)/t24-/m1/s1.
What are the key properties of N-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 537.74 g/mol, XLogP of 4.91, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 67386157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).