[6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-(2-methylprop-2-enyl)carbamic acid

C27H36N4O5Si — CID 67362056

IUPAC[6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-(2-methylprop-2-enyl)carbamic acid
SMILESC=C(C)CN(C(=O)O)c1cnc2c(cc(-c3ccc(C4(C)OCCO4)cc3)n2COCC[Si](C)(C)C)n1
InChIInChI=1S/C27H36N4O5Si/c1-19(2)17-30(26(32)33)24-16-28-25-22(29-24)15-23(31(25)18-34-13-14-37(4,5)6)20-7-9-21(10-8-20)27(3)35-11-12-36-27/h7-10,15-16H,1,11-14,17-18H2,2-6H3,(H,32,33)
InChIKeyZALOJCJSKRMEQV-UHFFFAOYSA-N
MW524.69 g/mol
LogP5.69
Rot. Bonds10

About [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-(2-methylprop-2-enyl)carbamic acid

[6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-(2-methylprop-2-enyl)carbamic acid (PubChem CID 67362056) has the molecular formula C27H36N4O5Si and a molecular weight of 524.69 g/mol. Its IUPAC name is [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-(2-methylprop-2-enyl)carbamic acid.

Molecular Properties

Compound Name[6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-(2-methylprop-2-enyl)carbamic acid
PubChem CID67362056
Molecular FormulaC27H36N4O5Si
Molecular Weight524.69 g/mol
Exact Mass524.25
IUPAC Name[6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-(2-methylprop-2-enyl)carbamic acid
SMILESC=C(C)CN(C(=O)O)c1cnc2c(cc(-c3ccc(C4(C)OCCO4)cc3)n2COCC[Si](C)(C)C)n1
InChIInChI=1S/C27H36N4O5Si/c1-19(2)17-30(26(32)33)24-16-28-25-22(29-24)15-23(31(25)18-34-13-14-37(4,5)6)20-7-9-21(10-8-20)27(3)35-11-12-36-27/h7-10,15-16H,1,11-14,17-18H2,2-6H3,(H,32,33)
InChIKeyZALOJCJSKRMEQV-UHFFFAOYSA-N
XLogP5.69
TPSA98.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.69
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-(2-methylprop-2-enyl)carbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-(2-methylprop-2-enyl)carbamic acid?
The IUPAC name of [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-(2-methylprop-2-enyl)carbamic acid (CID 67362056) is [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-(2-methylprop-2-enyl)carbamic acid.
What is the SMILES notation for [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-(2-methylprop-2-enyl)carbamic acid?
The canonical SMILES for [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-(2-methylprop-2-enyl)carbamic acid is C=C(C)CN(C(=O)O)c1cnc2c(cc(-c3ccc(C4(C)OCCO4)cc3)n2COCC[Si](C)(C)C)n1.
What is the InChIKey of [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-(2-methylprop-2-enyl)carbamic acid?
The InChIKey is ZALOJCJSKRMEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O5Si/c1-19(2)17-30(26(32)33)24-16-28-25-22(29-24)15-23(31(25)18-34-13-14-37(4,5)6)20-7-9-21(10-8-20)27(3)35-11-12-36-27/h7-10,15-16H,1,11-14,17-18H2,2-6H3,(H,32,33).
What are the key properties of [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-(2-methylprop-2-enyl)carbamic acid?
[6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-(2-methylprop-2-enyl)carbamic acid has a molecular weight of 524.69 g/mol, XLogP of 5.69, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-(2-methylprop-2-enyl)carbamic acid is sourced from PubChem (CID 67362056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).