4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline

C20H24F3N3O2Si — CID 142494901

IUPAC4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(Oc3ccc(N)cc3)ccnc21
InChIInChI=1S/C20H24F3N3O2Si/c1-29(2,3)11-10-27-13-26-12-16(20(21,22)23)18-17(8-9-25-19(18)26)28-15-6-4-14(24)5-7-15/h4-9,12H,10-11,13,24H2,1-3H3
InChIKeyMPZVGVCICOUSFW-UHFFFAOYSA-N
MW423.51 g/mol
LogP5.74
Rot. Bonds7

About 4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline

4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline (PubChem CID 142494901) has the molecular formula C20H24F3N3O2Si and a molecular weight of 423.51 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline
PubChem CID142494901
Molecular FormulaC20H24F3N3O2Si
Molecular Weight423.51 g/mol
Exact Mass423.16
IUPAC Name4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(Oc3ccc(N)cc3)ccnc21
InChIInChI=1S/C20H24F3N3O2Si/c1-29(2,3)11-10-27-13-26-12-16(20(21,22)23)18-17(8-9-25-19(18)26)28-15-6-4-14(24)5-7-15/h4-9,12H,10-11,13,24H2,1-3H3
InChIKeyMPZVGVCICOUSFW-UHFFFAOYSA-N
XLogP5.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline 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 4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline?
The IUPAC name of 4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline (CID 142494901) is 4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline.
What is the SMILES notation for 4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline?
The canonical SMILES for 4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline is C[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(Oc3ccc(N)cc3)ccnc21.
What is the InChIKey of 4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline?
The InChIKey is MPZVGVCICOUSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2Si/c1-29(2,3)11-10-27-13-26-12-16(20(21,22)23)18-17(8-9-25-19(18)26)28-15-6-4-14(24)5-7-15/h4-9,12H,10-11,13,24H2,1-3H3.
What are the key properties of 4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline?
4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline has a molecular weight of 423.51 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline is sourced from PubChem (CID 142494901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).