5-Tosyl-5H-pyrrolo[2,3-b]pyrazine-2-carboxylic Acid - CAS 1201630-75-2
Catalog: |
BB004735 |
Product Name: |
5-Tosyl-5H-pyrrolo[2,3-b]pyrazine-2-carboxylic Acid |
CAS: |
1201630-75-2 |
Synonyms: |
5-(4-methylphenyl)sulfonyl-2-pyrrolo[2,3-b]pyrazinecarboxylic acid; 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carboxylic acid |
IUPAC Name: | 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carboxylic acid |
Description: | 5-Tosyl-5H-pyrrolo[2,3-b]pyrazine-2-carboxylic Acid (CAS# 1201630-75-2 ) is a useful research chemical. |
Molecular Weight: | 317.32 |
Molecular Formula: | C14H11N3O4S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=NC(=CN=C32)C(=O)O |
InChI: | InChI=1S/C14H11N3O4S/c1-9-2-4-10(5-3-9)22(20,21)17-7-6-11-13(17)15-8-12(16-11)14(18)19/h2-8H,1H3,(H,18,19) |
InChI Key: | ZMEAEUWZRNAYDQ-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2014339897-A1 | 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 |
US-2015118229-A1 | Jak1 selective inhibitor and uses thereof | 20131024 |
WO-2015061665-A1 | Jak1 selective inhibitor and uses thereof | 20131024 |
Complexity: | 525 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.04702701 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.04702701 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 111 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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