1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea

C20H32N6O3Si — CID 67385980

IUPAC1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
SMILESCC(=O)C(NC(=O)Nc1cnc2c(ccn2COCC[Si](C)(C)C)n1)C1CCCN1
InChIInChI=1S/C20H32N6O3Si/c1-14(27)18(15-6-5-8-21-15)25-20(28)24-17-12-22-19-16(23-17)7-9-26(19)13-29-10-11-30(2,3)4/h7,9,12,15,18,21H,5-6,8,10-11,13H2,1-4H3,(H2,23,24,25,28)
InChIKeyPGMIGABKIFTJRB-UHFFFAOYSA-N
MW432.60 g/mol
LogP2.57
Rot. Bonds9

About 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea

1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea (PubChem CID 67385980) has the molecular formula C20H32N6O3Si and a molecular weight of 432.60 g/mol. Its IUPAC name is 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea.

Molecular Properties

Compound Name1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
PubChem CID67385980
Molecular FormulaC20H32N6O3Si
Molecular Weight432.60 g/mol
Exact Mass432.23
IUPAC Name1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
SMILESCC(=O)C(NC(=O)Nc1cnc2c(ccn2COCC[Si](C)(C)C)n1)C1CCCN1
InChIInChI=1S/C20H32N6O3Si/c1-14(27)18(15-6-5-8-21-15)25-20(28)24-17-12-22-19-16(23-17)7-9-26(19)13-29-10-11-30(2,3)4/h7,9,12,15,18,21H,5-6,8,10-11,13H2,1-4H3,(H2,23,24,25,28)
InChIKeyPGMIGABKIFTJRB-UHFFFAOYSA-N
XLogP2.57
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.60
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea?
The IUPAC name of 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea (CID 67385980) is 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea.
What is the SMILES notation for 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea?
The canonical SMILES for 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea is CC(=O)C(NC(=O)Nc1cnc2c(ccn2COCC[Si](C)(C)C)n1)C1CCCN1.
What is the InChIKey of 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea?
The InChIKey is PGMIGABKIFTJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O3Si/c1-14(27)18(15-6-5-8-21-15)25-20(28)24-17-12-22-19-16(23-17)7-9-26(19)13-29-10-11-30(2,3)4/h7,9,12,15,18,21H,5-6,8,10-11,13H2,1-4H3,(H2,23,24,25,28).
What are the key properties of 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea?
1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea has a molecular weight of 432.60 g/mol, XLogP of 2.57, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea is sourced from PubChem (CID 67385980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).