Methyl 5-Tosyl-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate - CAS 1201188-66-0
Catalog: |
BB004720 |
Product Name: |
Methyl 5-Tosyl-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate |
CAS: |
1201188-66-0 |
Synonyms: |
5-(4-methylphenyl)sulfonyl-2-pyrrolo[2,3-b]pyrazinecarboxylic acid methyl ester; methyl 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carboxylate |
IUPAC Name: | methyl 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carboxylate |
Description: | Methyl 5-Tosyl-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate (CAS# 1201188-66-0 ) is a useful research chemical. |
Molecular Weight: | 331.35 |
Molecular Formula: | C15H13N3O4S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=NC(=CN=C32)C(=O)OC |
InChI: | InChI=1S/C15H13N3O4S/c1-10-3-5-11(6-4-10)23(20,21)18-8-7-12-14(18)16-9-13(17-12)15(19)22-2/h3-9H,1-2H3 |
InChI Key: | HOXIJDBMDNNOQP-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2014339897-A1 | JAK1 selective inhibitor and uses thereof | 20131024 |
AU-2014339897-A2 | JAK1 selective inhibitor and uses thereof | 20131024 |
CA-2926361-A1 | Jak1 selective inhibitor and uses thereof | 20131024 |
EP-3060234-A1 | Jak1 selective inhibitor and uses thereof | 20131024 |
JP-2016539927-A | JAK1 selective inhibitors and uses thereof | 20131024 |
Complexity: | 539 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 331.06267708 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 331.06267708 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 99.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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