N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]formamide

C26H36N4O4Si — CID 58382093

IUPACN-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]formamide
SMILESCCc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc(CNC=O)nc12
InChIInChI=1S/C26H36N4O4Si/c1-6-22-23-25(28-16-21(29-23)15-27-17-31)30(18-32-13-14-35(3,4)5)24(22)19-7-9-20(10-8-19)26(2)33-11-12-34-26/h7-10,16-17H,6,11-15,18H2,1-5H3,(H,27,31)
InChIKeyGZNLCXLOBQAZLO-UHFFFAOYSA-N
MW496.68 g/mol
LogP4.44
Rot. Bonds11

About N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]formamide

N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]formamide (PubChem CID 58382093) has the molecular formula C26H36N4O4Si and a molecular weight of 496.68 g/mol. Its IUPAC name is N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]formamide
PubChem CID58382093
Molecular FormulaC26H36N4O4Si
Molecular Weight496.68 g/mol
Exact Mass496.25
IUPAC NameN-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]formamide
SMILESCCc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc(CNC=O)nc12
InChIInChI=1S/C26H36N4O4Si/c1-6-22-23-25(28-16-21(29-23)15-27-17-31)30(18-32-13-14-35(3,4)5)24(22)19-7-9-20(10-8-19)26(2)33-11-12-34-26/h7-10,16-17H,6,11-15,18H2,1-5H3,(H,27,31)
InChIKeyGZNLCXLOBQAZLO-UHFFFAOYSA-N
XLogP4.44
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.68
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]formamide?
The IUPAC name of N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]formamide (CID 58382093) is N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]formamide.
What is the SMILES notation for N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]formamide?
The canonical SMILES for N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]formamide is CCc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc(CNC=O)nc12.
What is the InChIKey of N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]formamide?
The InChIKey is GZNLCXLOBQAZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4Si/c1-6-22-23-25(28-16-21(29-23)15-27-17-31)30(18-32-13-14-35(3,4)5)24(22)19-7-9-20(10-8-19)26(2)33-11-12-34-26/h7-10,16-17H,6,11-15,18H2,1-5H3,(H,27,31).
What are the key properties of N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]formamide?
N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]formamide has a molecular weight of 496.68 g/mol, XLogP of 4.44, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]formamide is sourced from PubChem (CID 58382093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).