2-[[2-(azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane

C25H34N6O3Si — CID 58382445

IUPAC2-[[2-(azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
SMILESCCc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc(CN=[N+]=[N-])nc12
InChIInChI=1S/C25H34N6O3Si/c1-6-21-22-24(27-15-20(29-22)16-28-30-26)31(17-32-13-14-35(3,4)5)23(21)18-7-9-19(10-8-18)25(2)33-11-12-34-25/h7-10,15H,6,11-14,16-17H2,1-5H3
InChIKeyHJRBNOLKDJYRTR-UHFFFAOYSA-N
MW494.67 g/mol
LogP6.00
Rot. Bonds10

About 2-[[2-(azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane

2-[[2-(azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (PubChem CID 58382445) has the molecular formula C25H34N6O3Si and a molecular weight of 494.67 g/mol. Its IUPAC name is 2-[[2-(azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-(azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
PubChem CID58382445
Molecular FormulaC25H34N6O3Si
Molecular Weight494.67 g/mol
Exact Mass494.25
IUPAC Name2-[[2-(azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
SMILESCCc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc(CN=[N+]=[N-])nc12
InChIInChI=1S/C25H34N6O3Si/c1-6-21-22-24(27-15-20(29-22)16-28-30-26)31(17-32-13-14-35(3,4)5)23(21)18-7-9-19(10-8-18)25(2)33-11-12-34-25/h7-10,15H,6,11-14,16-17H2,1-5H3
InChIKeyHJRBNOLKDJYRTR-UHFFFAOYSA-N
XLogP6.00
TPSA107.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.67
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[[2-(azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane 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

6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 6538809
2-Methyl-1-[3-(5-phenyl-tetrahydro-furan-2-yloxy)-propyl]-1H-imidazo[4,5-c]pyridine
CID 44284380
1-{3-[5-(4-Fluoro-phenyl)-tetrahydro-furan-2-yloxy]-propyl}-2-methyl-1H-imidazo[4,5-c]pyridine
CID 44284551
6,9-Epoxy-6H,8H-pyrido(3',2':4,5)imidazo(2,1-c)oxazepine, 9,10-dihydro-6-phenyl-
CID 3059094
6,9-Epoxy-6H,8H-pyrido(4',3':4,5)imidazo(2,1-c)oxazepine, 9,10-dihydro-6-phenyl-
CID 3059095
7,10-Epoxy-6H,10H-pyrido(3',4:4,5)imidazo(2,1-c)(1,4)oxazepine, 7,8-dihydro-10-phenyl-
CID 3059096
9-[3-(2-Phenyl-1,3-dioxolan-2-yl)propyl]adenine
CID 129754805
1-[2-[5-(4-Fluorophenyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]ethyl]-2-methylimidazo[4,5-c]pyridine
CID 20076819
2-[4-(Diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine
CID 59651846
6-(5-(1,3-dioxolan-2-yl)-2-fluoropyridin-3-yl)-2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
CID 66611486
3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
CID 66692317
6-Benzyl-2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine
CID 67091800

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-(azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (CID 58382445) is 2-[[2-(azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-(azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-(azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is CCc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc(CN=[N+]=[N-])nc12.
What is the InChIKey of 2-[[2-(azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HJRBNOLKDJYRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3Si/c1-6-21-22-24(27-15-20(29-22)16-28-30-26)31(17-32-13-14-35(3,4)5)23(21)18-7-9-19(10-8-18)25(2)33-11-12-34-25/h7-10,15H,6,11-14,16-17H2,1-5H3.
What are the key properties of 2-[[2-(azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
2-[[2-(azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 494.67 g/mol, XLogP of 6.00, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58382445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).