N-methoxy-N-methyl-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

• ChemBase ID: 23832
• Molecular Formular: C19H31N3O2Si
• Molecular Mass: 361.55384
• Monoisotopic Mass: 361.21855378
• SMILES: c1(cnc2c(c1)ccn2[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(C)OC
• Canonical SMILES: CON(C(=O)c1cnc2c(c1)ccn2[Si](C(C)C)(C(C)C)C(C)C)C
• InChI: InChI=1S/C19H31N3O2Si/c1-13(2)25(14(3)4,15(5)6)22-10-9-16-11-17(12-20-18(16)22)19(23)21(7)24-8/h9-15H,1-8H3
• InChIKey: OUXUZOJXPBBCPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methyl-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• IUPAC Traditional name: N-methoxy-N-methyl-1-(triisopropylsilyl)pyrrolo[2,3-b]pyridine-5-carboxamide
• Synonyms: 1-Triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid methoxy-methyl-amide; 1-Triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid methoxy-methyl-amide

Database IDs

• CAS Number: 944937-28-4
• MDL Number: MFCD09260186
• PubChem SID: 160987139
• PubChem CID: 24229254

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9097447
• LogD (pH = 7.4): 3.9107866
• Log P: 3.9108
• Molar Refractivity: 100.4486 cm^3
• Polarizability: 40.69152 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C19H31N3O2Si

DETAILS

Sigma Aldrich - ADE000944

Other Notes
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