5-Chloro-4-iodo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine - CAS 1040682-76-5
Catalog: |
BB001322 |
Product Name: |
5-Chloro-4-iodo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine |
CAS: |
1040682-76-5 |
Synonyms: |
(5-chloro-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane |
IUPAC Name: | (5-chloro-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane |
Description: | 5-Chloro-4-iodo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine (CAS# 1040682-76-5) is used as a reactant in the synthesis of tricyclic compounds as JAK3 inhibitors. |
Molecular Weight: | 434.82 |
Molecular Formula: | C16H24ClIN2Si |
Canonical SMILES: | CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C(C(=CN=C21)Cl)I |
InChI: | InChI=1S/C16H24ClIN2Si/c1-10(2)21(11(3)4,12(5)6)20-8-7-13-15(18)14(17)9-19-16(13)20/h7-12H,1-6H3 |
InChI Key: | HTFCCIPFRUUSTD-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD09965903 |
LogP: | 6.31790 |
Publication Number | Title | Priority Date |
AU-2010326108-A1 | Novel tricyclic compounds | 20091201 |
AU-2010326108-B2 | Novel tricyclic compounds | 20091201 |
AU-2016201825-A1 | Novel tricyclic compounds | 20091201 |
CA-2781891-A1 | Novel tricyclic compounds as protein kinase inhibitors | 20091201 |
DK-2506716-T3 | HIS UNKNOWN TRICYCLIC RELATIONS | 20091201 |
Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 434.0442 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 434.0442 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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