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

C25H34BrN3O3Si — CID 58382359

IUPAC2-[[2-bromo-7-ethyl-3-methyl-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)c2nc(C)c(Br)nc12
InChIInChI=1S/C25H34BrN3O3Si/c1-7-20-21-24(27-17(2)23(26)28-21)29(16-30-14-15-33(4,5)6)22(20)18-8-10-19(11-9-18)25(3)31-12-13-32-25/h8-11H,7,12-16H2,1-6H3
InChIKeyVDWHHDNYAKQSLJ-UHFFFAOYSA-N
MW532.56 g/mol
LogP6.26
Rot. Bonds8

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

2-[[2-bromo-7-ethyl-3-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (PubChem CID 58382359) has the molecular formula C25H34BrN3O3Si and a molecular weight of 532.56 g/mol. Its IUPAC name is 2-[[2-bromo-7-ethyl-3-methyl-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-bromo-7-ethyl-3-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
PubChem CID58382359
Molecular FormulaC25H34BrN3O3Si
Molecular Weight532.56 g/mol
Exact Mass531.16
IUPAC Name2-[[2-bromo-7-ethyl-3-methyl-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)c2nc(C)c(Br)nc12
InChIInChI=1S/C25H34BrN3O3Si/c1-7-20-21-24(27-17(2)23(26)28-21)29(16-30-14-15-33(4,5)6)22(20)18-8-10-19(11-9-18)25(3)31-12-13-32-25/h8-11H,7,12-16H2,1-6H3
InChIKeyVDWHHDNYAKQSLJ-UHFFFAOYSA-N
XLogP6.26
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.56
LogP ≤ 56.26
H-Bond Donors ≤ 50
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 2-[[2-bromo-7-ethyl-3-methyl-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

2-[[2-bromo-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 58382168
tert-butyl 2-[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]acetate
CID 58382386
2-[[2-bromo-7-iodo-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 58382134
2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5,7,11-triaza-1-azoniatricyclo[7.3.0.02,6]dodeca-1,3,6,8,10-pentaen-5-yl]methoxy]ethyl-trimethylsilane
CID 58381997
2-bromo-3-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 58382269
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 22018699
4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol
CID 153483568
2-[(4,5-dibromo-2-methoxyimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156708294
2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane
CID 142339206
2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 141389098
2-[[2-(4-bromo-2-pyridinyl)-4,5-dimethylimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140796375

Frequently Asked Questions

What is the IUPAC name of 2-[[2-bromo-7-ethyl-3-methyl-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-bromo-7-ethyl-3-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (CID 58382359) is 2-[[2-bromo-7-ethyl-3-methyl-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-bromo-7-ethyl-3-methyl-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-bromo-7-ethyl-3-methyl-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)c2nc(C)c(Br)nc12.
What is the InChIKey of 2-[[2-bromo-7-ethyl-3-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VDWHHDNYAKQSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34BrN3O3Si/c1-7-20-21-24(27-17(2)23(26)28-21)29(16-30-14-15-33(4,5)6)22(20)18-8-10-19(11-9-18)25(3)31-12-13-32-25/h8-11H,7,12-16H2,1-6H3.
What are the key properties of 2-[[2-bromo-7-ethyl-3-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
2-[[2-bromo-7-ethyl-3-methyl-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 532.56 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-bromo-7-ethyl-3-methyl-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 58382359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).