N-cyclohexyl-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C25H34N4O3Si — CID 67002498

IUPACN-cyclohexyl-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[Si](C)(C)CCOCn1cc(C(=O)NC2CCCCC2)c2nc(Oc3ccccc3)cnc21
InChIInChI=1S/C25H34N4O3Si/c1-33(2,3)15-14-31-18-29-17-21(25(30)27-19-10-6-4-7-11-19)23-24(29)26-16-22(28-23)32-20-12-8-5-9-13-20/h5,8-9,12-13,16-17,19H,4,6-7,10-11,14-15,18H2,1-3H3,(H,27,30)
InChIKeyMKLIPYJRAAPYIZ-UHFFFAOYSA-N
MW466.66 g/mol
LogP5.60
Rot. Bonds9

About N-cyclohexyl-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-cyclohexyl-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 67002498) has the molecular formula C25H34N4O3Si and a molecular weight of 466.66 g/mol. Its IUPAC name is N-cyclohexyl-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID67002498
Molecular FormulaC25H34N4O3Si
Molecular Weight466.66 g/mol
Exact Mass466.24
IUPAC NameN-cyclohexyl-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[Si](C)(C)CCOCn1cc(C(=O)NC2CCCCC2)c2nc(Oc3ccccc3)cnc21
InChIInChI=1S/C25H34N4O3Si/c1-33(2,3)15-14-31-18-29-17-21(25(30)27-19-10-6-4-7-11-19)23-24(29)26-16-22(28-23)32-20-12-8-5-9-13-20/h5,8-9,12-13,16-17,19H,4,6-7,10-11,14-15,18H2,1-3H3,(H,27,30)
InChIKeyMKLIPYJRAAPYIZ-UHFFFAOYSA-N
XLogP5.60
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.66
LogP ≤ 55.60
H-Bond Donors ≤ 51
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 N-cyclohexyl-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide 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 N-cyclohexyl-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-cyclohexyl-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 67002498) is N-cyclohexyl-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-cyclohexyl-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is C[Si](C)(C)CCOCn1cc(C(=O)NC2CCCCC2)c2nc(Oc3ccccc3)cnc21.
What is the InChIKey of N-cyclohexyl-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is MKLIPYJRAAPYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3Si/c1-33(2,3)15-14-31-18-29-17-21(25(30)27-19-10-6-4-7-11-19)23-24(29)26-16-22(28-23)32-20-12-8-5-9-13-20/h5,8-9,12-13,16-17,19H,4,6-7,10-11,14-15,18H2,1-3H3,(H,27,30).
What are the key properties of N-cyclohexyl-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-cyclohexyl-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 466.66 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 67002498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).