2-fluoro-1-N-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine

C20H27FN4OSi — CID 59305012

IUPAC2-fluoro-1-N-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine
SMILESCc1cn(COCC[Si](C)(C)C)c2nccc(Nc3ccc(N)cc3F)c12
InChIInChI=1S/C20H27FN4OSi/c1-14-12-25(13-26-9-10-27(2,3)4)20-19(14)18(7-8-23-20)24-17-6-5-15(22)11-16(17)21/h5-8,11-12H,9-10,13,22H2,1-4H3,(H,23,24)
InChIKeyCAZRWAJSVZMVCN-UHFFFAOYSA-N
MW386.55 g/mol
LogP5.12
Rot. Bonds7

About 2-fluoro-1-N-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine

2-fluoro-1-N-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine (PubChem CID 59305012) has the molecular formula C20H27FN4OSi and a molecular weight of 386.55 g/mol. Its IUPAC name is 2-fluoro-1-N-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine
PubChem CID59305012
Molecular FormulaC20H27FN4OSi
Molecular Weight386.55 g/mol
Exact Mass386.19
IUPAC Name2-fluoro-1-N-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine
SMILESCc1cn(COCC[Si](C)(C)C)c2nccc(Nc3ccc(N)cc3F)c12
InChIInChI=1S/C20H27FN4OSi/c1-14-12-25(13-26-9-10-27(2,3)4)20-19(14)18(7-8-23-20)24-17-6-5-15(22)11-16(17)21/h5-8,11-12H,9-10,13,22H2,1-4H3,(H,23,24)
InChIKeyCAZRWAJSVZMVCN-UHFFFAOYSA-N
XLogP5.12
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.55
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-fluoro-1-N-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine 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 2-fluoro-1-N-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine (CID 59305012) is 2-fluoro-1-N-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine is Cc1cn(COCC[Si](C)(C)C)c2nccc(Nc3ccc(N)cc3F)c12.
What is the InChIKey of 2-fluoro-1-N-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine?
The InChIKey is CAZRWAJSVZMVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4OSi/c1-14-12-25(13-26-9-10-27(2,3)4)20-19(14)18(7-8-23-20)24-17-6-5-15(22)11-16(17)21/h5-8,11-12H,9-10,13,22H2,1-4H3,(H,23,24).
What are the key properties of 2-fluoro-1-N-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine?
2-fluoro-1-N-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine has a molecular weight of 386.55 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine is sourced from PubChem (CID 59305012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).