Methyl 5H-Pyrrolo[2,3-b]pyrazine-2-carboxylate - CAS 1363381-89-8
Catalog: |
BB059574 |
Product Name: |
Methyl 5H-Pyrrolo[2,3-b]pyrazine-2-carboxylate |
CAS: |
1363381-89-8 |
Synonyms: |
METHYL 5H-PYRROLO[2,3-B]PYRAZINE-2-CARBOXYLATE; 5H-Pyrrolo[2,3-b]pyrazine-2-carboxylic acid, methyl ester |
IUPAC Name: | methyl 5H-pyrrolo[2,3-b]pyrazine-2-carboxylate |
Description: | Methyl 5H-Pyrrolo[2,3-b]pyrazine-2-carboxylate is used as a reactant in the preparation of substituted indoles as Mcl-1 inhibitors. |
Molecular Weight: | 177.16 |
Molecular Formula: | C8H7N3O2 |
Canonical SMILES: | COC(=O)C1=CN=C2C(=N1)C=CN2 |
InChI: | InChI=1S/C8H7N3O2/c1-13-8(12)6-4-10-7-5(11-6)2-3-9-7/h2-4H,1H3,(H,9,10) |
InChI Key: | LKYVYGGBGJSMJX-UHFFFAOYSA-N |
References: | Lee, Taekyu, et al. Vanderbilt University, WO 2017152076 A1 20170908 (2017). |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.053826475 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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