3-Iodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine - CAS 1228666-07-6
Catalog: |
BB005558 |
Product Name: |
3-Iodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine |
CAS: |
1228666-07-6 |
Synonyms: |
1-(benzenesulfonyl)-3-iodo-5-methylpyrrolo[2,3-b]pyridine |
IUPAC Name: | 1-(benzenesulfonyl)-3-iodo-5-methylpyrrolo[2,3-b]pyridine |
Description: | 3-Iodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine (CAS# 1228666-07-6) is a useful research chemical. |
Molecular Weight: | 398.22 |
Molecular Formula: | C14H11IN2O2S |
Canonical SMILES: | CC1=CN=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CC=C3)I |
InChI: | InChI=1S/C14H11IN2O2S/c1-10-7-12-13(15)9-17(14(12)16-8-10)20(18,19)11-5-3-2-4-6-11/h2-9H,1H3 |
InChI Key: | FFIDQLBOGUNEHY-UHFFFAOYSA-N |
MDL: | MFCD16628243 |
LogP: | 4.26710 |
Publication Number | Title | Priority Date |
AU-2011242778-A1 | Compounds and methods for kinase modulation, and indications therefor | 20100421 |
AU-2011242778-B2 | Compounds and methods for kinase modulation, and indications therefor | 20100421 |
CA-2796998-A1 | Compounds and methods for kinase modulation, and indications therefor | 20100421 |
EA-028105-B1 | CONNECTIONS AND METHODS FOR MODELING KINAZES AND INDICATIONS FOR THEIR APPLICATION | 20100421 |
EP-2560972-A2 | Compounds and methods for kinase modulation, and indications therefor | 20100421 |
Complexity: | 445 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 397.9586 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 397.9586 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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Pyridines
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