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

C20H24FN3O2Si — CID 139945913

IUPAC2-fluoro-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzamide
SMILESC[Si](C)(C)CCOCn1ccc2c(NC(=O)c3ccccc3F)ccnc21
InChIInChI=1S/C20H24FN3O2Si/c1-27(2,3)13-12-26-14-24-11-9-16-18(8-10-22-19(16)24)23-20(25)15-6-4-5-7-17(15)21/h4-11H,12-14H2,1-3H3,(H,22,23,25)
InChIKeyHGWAWJQAKAMSLL-UHFFFAOYSA-N
MW385.52 g/mol
LogP4.74
Rot. Bonds7

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

2-fluoro-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzamide (PubChem CID 139945913) has the molecular formula C20H24FN3O2Si and a molecular weight of 385.52 g/mol. Its IUPAC name is 2-fluoro-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzamide
PubChem CID139945913
Molecular FormulaC20H24FN3O2Si
Molecular Weight385.52 g/mol
Exact Mass385.16
IUPAC Name2-fluoro-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzamide
SMILESC[Si](C)(C)CCOCn1ccc2c(NC(=O)c3ccccc3F)ccnc21
InChIInChI=1S/C20H24FN3O2Si/c1-27(2,3)13-12-26-14-24-11-9-16-18(8-10-22-19(16)24)23-20(25)15-6-4-5-7-17(15)21/h4-11H,12-14H2,1-3H3,(H,22,23,25)
InChIKeyHGWAWJQAKAMSLL-UHFFFAOYSA-N
XLogP4.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 135061172
1-[3,5-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]-3-(2-methoxyethyl)urea
CID 162141681
1-[3,5-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]-3-[3-(dimethylamino)propyl]urea
CID 161353980
trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 59420154
2-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30884704
phenyl N-[3,5-difluoro-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]carbamate
CID 142494673
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-adamantyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 142711063
tert-butyl 4-[2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]ethyl]piperidine-1-carboxylate
CID 153397556
2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175192974
2-[4-(2-trimethylsilylethoxymethyl)-13-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-10-yl]benzoic acid
CID 175821459
phenyl N-[4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]sulfanyl-3,5-difluorophenyl]carbamate
CID 142494818
2-fluoro-N-(1H-indol-4-yl)benzamide
CID 110730909

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzamide (CID 139945913) is 2-fluoro-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzamide is C[Si](C)(C)CCOCn1ccc2c(NC(=O)c3ccccc3F)ccnc21.
What is the InChIKey of 2-fluoro-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The InChIKey is HGWAWJQAKAMSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2Si/c1-27(2,3)13-12-26-14-24-11-9-16-18(8-10-22-19(16)24)23-20(25)15-6-4-5-7-17(15)21/h4-11H,12-14H2,1-3H3,(H,22,23,25).
What are the key properties of 2-fluoro-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzamide?
2-fluoro-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzamide has a molecular weight of 385.52 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzamide is sourced from PubChem (CID 139945913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).