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

C19H22FN3O2Si — CID 59596662

IUPACethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccncc2c1Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C19H22FN3O2Si/c1-5-25-19(24)18-17(13-11-21-9-8-15(13)22-18)23-16-7-6-12(10-14(16)20)26(2,3)4/h6-11,22-23H,5H2,1-4H3
InChIKeyRVBDPGQPMUMLKC-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.17
Rot. Bonds5

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

ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate (PubChem CID 59596662) has the molecular formula C19H22FN3O2Si and a molecular weight of 371.49 g/mol. Its IUPAC name is ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
PubChem CID59596662
Molecular FormulaC19H22FN3O2Si
Molecular Weight371.49 g/mol
Exact Mass371.15
IUPAC Nameethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccncc2c1Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C19H22FN3O2Si/c1-5-25-19(24)18-17(13-11-21-9-8-15(13)22-18)23-16-7-6-12(10-14(16)20)26(2,3)4/h6-11,22-23H,5H2,1-4H3
InChIKeyRVBDPGQPMUMLKC-UHFFFAOYSA-N
XLogP4.17
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
CID 59596497
ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704610
3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 143686635
7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid
CID 141208482
ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704563
ethyl 3-(2-fluoro-4-iodoanilino)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-2-carboxylate
CID 59596516
CID 88885978
CID 88885978
ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate
CID 59704595
N-(2-fluoro-4-trimethylsilylphenyl)furo[3,2-c]pyridin-3-amine
CID 141210548
ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate
CID 143636271
ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate
CID 143635942
ethyl 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxycarbamoyl]-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-7-carboxylate
CID 59704739

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate (CID 59596662) is ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate is CCOC(=O)c1[nH]c2ccncc2c1Nc1ccc([Si](C)(C)C)cc1F.
What is the InChIKey of ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?
The InChIKey is RVBDPGQPMUMLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2Si/c1-5-25-19(24)18-17(13-11-21-9-8-15(13)22-18)23-16-7-6-12(10-14(16)20)26(2,3)4/h6-11,22-23H,5H2,1-4H3.
What are the key properties of ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?
ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate has a molecular weight of 371.49 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 59596662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).