ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate

C20H24FN3O2Si — CID 59596497

IUPACethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1c(Nc2ccc([Si](C)(C)C)cc2F)c2cnccc2n1C
InChIInChI=1S/C20H24FN3O2Si/c1-6-26-20(25)19-18(14-12-22-10-9-17(14)24(19)2)23-16-8-7-13(11-15(16)21)27(3,4)5/h7-12,23H,6H2,1-5H3
InChIKeyVDMOCTFGWUEFAR-UHFFFAOYSA-N
MW385.52 g/mol
LogP4.18
Rot. Bonds5

About ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate

ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate (PubChem CID 59596497) has the molecular formula C20H24FN3O2Si and a molecular weight of 385.52 g/mol. Its IUPAC name is ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
PubChem CID59596497
Molecular FormulaC20H24FN3O2Si
Molecular Weight385.52 g/mol
Exact Mass385.16
IUPAC Nameethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1c(Nc2ccc([Si](C)(C)C)cc2F)c2cnccc2n1C
InChIInChI=1S/C20H24FN3O2Si/c1-6-26-20(25)19-18(14-12-22-10-9-17(14)24(19)2)23-16-8-7-13(11-15(16)21)27(3,4)5/h7-12,23H,6H2,1-5H3
InChIKeyVDMOCTFGWUEFAR-UHFFFAOYSA-N
XLogP4.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
CID 59596662
ethyl 3-(2-chloro-4-propan-2-ylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
CID 59596514
ethyl 3-(2-fluoro-4-methylanilino)-1-(2-phenylethyl)pyrrolo[3,2-c]pyridine-2-carboxylate
CID 143686748
ethyl 3-(2-fluoro-4-iodoanilino)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-2-carboxylate
CID 59596516
ethyl 3-(2-fluoro-4-methylanilino)-1-[(2-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-2-carboxylate
CID 143686855
ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704610
ethane;ethyl 3-(2-fluoro-4-methylanilino)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-2-carboxylate
CID 143686684
ethyl 7-chloro-3-(2-fluoro-4-methylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
CID 143686841
3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 59596445
ethyl 1-[(3-cyanophenyl)methyl]-3-(2-fluoro-4-methylanilino)pyrrolo[3,2-c]pyridine-2-carboxylate
CID 143686771
ethane;ethyl 1-[[3-(dimethylcarbamoyl)phenyl]methyl]-3-(2-fluoro-4-methylanilino)pyrrolo[3,2-c]pyridine-2-carboxylate
CID 143686845
3-(2-fluoro-4-iodoanilino)-1-methyl-N-piperidin-4-yloxypyrrolo[3,2-c]pyridine-2-carboxamide;formic acid
CID 160811478

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate (CID 59596497) is ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate is CCOC(=O)c1c(Nc2ccc([Si](C)(C)C)cc2F)c2cnccc2n1C.
What is the InChIKey of ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate?
The InChIKey is VDMOCTFGWUEFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2Si/c1-6-26-20(25)19-18(14-12-22-10-9-17(14)24(19)2)23-16-8-7-13(11-15(16)21)27(3,4)5/h7-12,23H,6H2,1-5H3.
What are the key properties of ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate?
ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate has a molecular weight of 385.52 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 59596497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).