Cas no 858116-67-3 (1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 1-[tris(1-methylethyl)silyl]-, phenylmethyl ester)

1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 1-[tris(1-methylethyl)silyl]-, phenylmethyl ester structure
858116-67-3 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 1-[tris(1-methylethyl)silyl]-, phenylmethyl ester
CAS No:858116-67-3
MF:C24H32N2O2Si
MW:408.608587265015
CID:2110779
PubChem ID:58835322
Update Time:2025-04-21

1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 1-[tris(1-methylethyl)silyl]-, phenylmethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 1-[tris(1-methylethyl)silyl]-, phenylmethyl ester
    • XUCOZWYFONXKCV-UHFFFAOYSA-N
    • Benzyl 1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
    • SCHEMBL1364701
    • 1-Triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid benzyl ester
    • 858116-67-3
    • Inchi: 1S/C24H32N2O2Si/c1-17(2)29(18(3)4,19(5)6)26-13-12-21-14-22(15-25-23(21)26)24(27)28-16-20-10-8-7-9-11-20/h7-15,17-19H,16H2,1-6H3
    • InChI Key: XUCOZWYFONXKCV-UHFFFAOYSA-N
    • SMILES: [Si](C(C)C)(C(C)C)(C(C)C)N1C=CC2=CC(C(=O)OCC3C=CC=CC=3)=CN=C12

Computed Properties

  • Exact Mass: 408.22330480Da
  • Monoisotopic Mass: 408.22330480Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 8
  • Complexity: 523
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 44.1?2
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