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

C19H25FN4OSi — CID 59304994

IUPAC2-fluoro-1-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine
SMILESC[Si](C)(C)CCOCn1ccc2c(Nc3ccc(N)cc3F)ccnc21
InChIInChI=1S/C19H25FN4OSi/c1-26(2,3)11-10-25-13-24-9-7-15-17(6-8-22-19(15)24)23-18-5-4-14(21)12-16(18)20/h4-9,12H,10-11,13,21H2,1-3H3,(H,22,23)
InChIKeyLBZMTQGMYXMJKW-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.81
Rot. Bonds7

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

2-fluoro-1-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine (PubChem CID 59304994) has the molecular formula C19H25FN4OSi and a molecular weight of 372.52 g/mol. Its IUPAC name is 2-fluoro-1-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine
PubChem CID59304994
Molecular FormulaC19H25FN4OSi
Molecular Weight372.52 g/mol
Exact Mass372.18
IUPAC Name2-fluoro-1-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine
SMILESC[Si](C)(C)CCOCn1ccc2c(Nc3ccc(N)cc3F)ccnc21
InChIInChI=1S/C19H25FN4OSi/c1-26(2,3)11-10-25-13-24-9-7-15-17(6-8-22-19(15)24)23-18-5-4-14(21)12-16(18)20/h4-9,12H,10-11,13,21H2,1-3H3,(H,22,23)
InChIKeyLBZMTQGMYXMJKW-UHFFFAOYSA-N
XLogP4.81
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.81
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine (CID 59304994) is 2-fluoro-1-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine is C[Si](C)(C)CCOCn1ccc2c(Nc3ccc(N)cc3F)ccnc21.
What is the InChIKey of 2-fluoro-1-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine?
The InChIKey is LBZMTQGMYXMJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4OSi/c1-26(2,3)11-10-25-13-24-9-7-15-17(6-8-22-19(15)24)23-18-5-4-14(21)12-16(18)20/h4-9,12H,10-11,13,21H2,1-3H3,(H,22,23).
What are the key properties of 2-fluoro-1-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine?
2-fluoro-1-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine has a molecular weight of 372.52 g/mol, XLogP of 4.81, 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-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine is sourced from PubChem (CID 59304994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).