N-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide

C21H26FN3O3Si — CID 135062540

IUPACN-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccnc3c2ccn3COCC[Si](C)(C)C)c(F)c1
InChIInChI=1S/C21H26FN3O3Si/c1-15(26)24-16-5-6-20(18(22)13-16)28-19-7-9-23-21-17(19)8-10-25(21)14-27-11-12-29(2,3)4/h5-10,13H,11-12,14H2,1-4H3,(H,24,26)
InChIKeyUEBFBFLDEAFJQA-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.24
Rot. Bonds8

About N-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide

N-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide (PubChem CID 135062540) has the molecular formula C21H26FN3O3Si and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide
PubChem CID135062540
Molecular FormulaC21H26FN3O3Si
Molecular Weight415.54 g/mol
Exact Mass415.17
IUPAC NameN-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccnc3c2ccn3COCC[Si](C)(C)C)c(F)c1
InChIInChI=1S/C21H26FN3O3Si/c1-15(26)24-16-5-6-20(18(22)13-16)28-19-7-9-23-21-17(19)8-10-25(21)14-27-11-12-29(2,3)4/h5-10,13H,11-12,14H2,1-4H3,(H,24,26)
InChIKeyUEBFBFLDEAFJQA-UHFFFAOYSA-N
XLogP5.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide 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-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide?
The IUPAC name of N-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide (CID 135062540) is N-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2ccnc3c2ccn3COCC[Si](C)(C)C)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide?
The InChIKey is UEBFBFLDEAFJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3Si/c1-15(26)24-16-5-6-20(18(22)13-16)28-19-7-9-23-21-17(19)8-10-25(21)14-27-11-12-29(2,3)4/h5-10,13H,11-12,14H2,1-4H3,(H,24,26).
What are the key properties of N-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide?
N-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide has a molecular weight of 415.54 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide is sourced from PubChem (CID 135062540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).