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

C21H33F3N6O2Si — CID 67385550

IUPAC1-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
SMILESC[Si](C)(C)CCOCn1ccc2nc(NC(=O)NCCC3CCCN3CC(F)(F)F)cnc21
InChIInChI=1S/C21H33F3N6O2Si/c1-33(2,3)12-11-32-15-30-10-7-17-19(30)26-13-18(27-17)28-20(31)25-8-6-16-5-4-9-29(16)14-21(22,23)24/h7,10,13,16H,4-6,8-9,11-12,14-15H2,1-3H3,(H2,25,27,28,31)
InChIKeyXGSRSUKLSLEWTQ-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.28
Rot. Bonds10

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

1-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea (PubChem CID 67385550) has the molecular formula C21H33F3N6O2Si and a molecular weight of 486.62 g/mol. Its IUPAC name is 1-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea.

Molecular Properties

Compound Name1-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
PubChem CID67385550
Molecular FormulaC21H33F3N6O2Si
Molecular Weight486.62 g/mol
Exact Mass486.24
IUPAC Name1-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
SMILESC[Si](C)(C)CCOCn1ccc2nc(NC(=O)NCCC3CCCN3CC(F)(F)F)cnc21
InChIInChI=1S/C21H33F3N6O2Si/c1-33(2,3)12-11-32-15-30-10-7-17-19(30)26-13-18(27-17)28-20(31)25-8-6-16-5-4-9-29(16)14-21(22,23)24/h7,10,13,16H,4-6,8-9,11-12,14-15H2,1-3H3,(H2,25,27,28,31)
InChIKeyXGSRSUKLSLEWTQ-UHFFFAOYSA-N
XLogP4.28
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.28
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'}

Analyze 1-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethyl]urea
CID 59363351
1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methyl]urea
CID 59363398
(R)-2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-9-(piperidin-3-yl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-purin-8(9H)-one
CID 67123643
2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-9-piperidin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one
CID 67123645
1-(1-Trifluoromethanesulfonyl-piperidin-3-yl)-3-[5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-urea
CID 67385308
1-[1-(3,3,3-Trifluoropropylsulfonyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67385489
1-[1-(2,2,2-Trifluoro-ethanesulfonyl)-piperidin-3-yl]-3-[5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-urea
CID 67385508
1-[1-(2,2,2-Trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67385703
1-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67385709
1-(3,3,3-Trifluoro-1-piperidin-4-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67385712
1-[(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67385725
1-[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67385728

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea?
The IUPAC name of 1-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea (CID 67385550) is 1-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea.
What is the SMILES notation for 1-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea?
The canonical SMILES for 1-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea is C[Si](C)(C)CCOCn1ccc2nc(NC(=O)NCCC3CCCN3CC(F)(F)F)cnc21.
What is the InChIKey of 1-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea?
The InChIKey is XGSRSUKLSLEWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33F3N6O2Si/c1-33(2,3)12-11-32-15-30-10-7-17-19(30)26-13-18(27-17)28-20(31)25-8-6-16-5-4-9-29(16)14-21(22,23)24/h7,10,13,16H,4-6,8-9,11-12,14-15H2,1-3H3,(H2,25,27,28,31).
What are the key properties of 1-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea?
1-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea has a molecular weight of 486.62 g/mol, XLogP of 4.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea is sourced from PubChem (CID 67385550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).