(3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate

C24H39N5O4Si — CID 67009271

IUPAC(3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate
SMILESCC1(C)CCN(c2cnc3c(n2)c(C(=O)OCC(C)(C)C(N)=O)cn3COCC[Si](C)(C)C)C1
InChIInChI=1S/C24H39N5O4Si/c1-23(2)8-9-28(14-23)18-12-26-20-19(27-18)17(21(30)33-15-24(3,4)22(25)31)13-29(20)16-32-10-11-34(5,6)7/h12-13H,8-11,14-16H2,1-7H3,(H2,25,31)
InChIKeyFABIWDRJCOVEQM-UHFFFAOYSA-N
MW489.69 g/mol
LogP3.65
Rot. Bonds10

About (3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate

(3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate (PubChem CID 67009271) has the molecular formula C24H39N5O4Si and a molecular weight of 489.69 g/mol. Its IUPAC name is (3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate.

Molecular Properties

Compound Name(3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate
PubChem CID67009271
Molecular FormulaC24H39N5O4Si
Molecular Weight489.69 g/mol
Exact Mass489.28
IUPAC Name(3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate
SMILESCC1(C)CCN(c2cnc3c(n2)c(C(=O)OCC(C)(C)C(N)=O)cn3COCC[Si](C)(C)C)C1
InChIInChI=1S/C24H39N5O4Si/c1-23(2)8-9-28(14-23)18-12-26-20-19(27-18)17(21(30)33-15-24(3,4)22(25)31)13-29(20)16-32-10-11-34(5,6)7/h12-13H,8-11,14-16H2,1-7H3,(H2,25,31)
InChIKeyFABIWDRJCOVEQM-UHFFFAOYSA-N
XLogP3.65
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.69
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate with MolForge

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Related Compounds

(3-amino-2,2-dimethyl-3-oxopropyl) 2-[[2-(methylamino)-2-oxoethyl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate
CID 67008738
2-[[7-bromo-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 157362664
2-bromo-N-(4-methylpiperidin-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71574168
2-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 89453202
tert-butyl N-[1-[7-butanoyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]azetidin-3-yl]-N-methylcarbamate
CID 160650367
N-tert-butyl-2-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 131735557
2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522279
1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol
CID 88906942
2-bromo-N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 86657869
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 90041616
2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 161107897
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 123215679

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate?
The IUPAC name of (3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate (CID 67009271) is (3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate.
What is the SMILES notation for (3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate?
The canonical SMILES for (3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate is CC1(C)CCN(c2cnc3c(n2)c(C(=O)OCC(C)(C)C(N)=O)cn3COCC[Si](C)(C)C)C1.
What is the InChIKey of (3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate?
The InChIKey is FABIWDRJCOVEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N5O4Si/c1-23(2)8-9-28(14-23)18-12-26-20-19(27-18)17(21(30)33-15-24(3,4)22(25)31)13-29(20)16-32-10-11-34(5,6)7/h12-13H,8-11,14-16H2,1-7H3,(H2,25,31).
What are the key properties of (3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate?
(3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate has a molecular weight of 489.69 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate is sourced from PubChem (CID 67009271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).