3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C23H34N6O4SSi — CID 90041606

IUPAC3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)c1nc2c(nc1Nc1cncc(S(C)(=O)=O)c1)c(C(N)=O)cn2COCC[Si](C)(C)C
InChIInChI=1S/C23H34N6O4SSi/c1-23(2,3)19-21(26-15-10-16(12-25-11-15)34(4,31)32)27-18-17(20(24)30)13-29(22(18)28-19)14-33-8-9-35(5,6)7/h10-13H,8-9,14H2,1-7H3,(H2,24,30)(H,26,27)
InChIKeyZACNTLWJRQECSV-UHFFFAOYSA-N
MW518.72 g/mol
LogP3.68
Rot. Bonds9

About 3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 90041606) has the molecular formula C23H34N6O4SSi and a molecular weight of 518.72 g/mol. Its IUPAC name is 3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID90041606
Molecular FormulaC23H34N6O4SSi
Molecular Weight518.72 g/mol
Exact Mass518.21
IUPAC Name3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)c1nc2c(nc1Nc1cncc(S(C)(=O)=O)c1)c(C(N)=O)cn2COCC[Si](C)(C)C
InChIInChI=1S/C23H34N6O4SSi/c1-23(2,3)19-21(26-15-10-16(12-25-11-15)34(4,31)32)27-18-17(20(24)30)13-29(22(18)28-19)14-33-8-9-35(5,6)7/h10-13H,8-9,14H2,1-7H3,(H2,24,30)(H,26,27)
InChIKeyZACNTLWJRQECSV-UHFFFAOYSA-N
XLogP3.68
TPSA142.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.72
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-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 3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 90041606) is 3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)c1nc2c(nc1Nc1cncc(S(C)(=O)=O)c1)c(C(N)=O)cn2COCC[Si](C)(C)C.
What is the InChIKey of 3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is ZACNTLWJRQECSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O4SSi/c1-23(2,3)19-21(26-15-10-16(12-25-11-15)34(4,31)32)27-18-17(20(24)30)13-29(22(18)28-19)14-33-8-9-35(5,6)7/h10-13H,8-9,14H2,1-7H3,(H2,24,30)(H,26,27).
What are the key properties of 3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 518.72 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 90041606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).