SCH772984

Chemical Information
SCH772984 is a member of the class of indazoles that is 1H-indazole substituted by pyridin-4-yl and {[(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidin-3-yl]carbonyl}amino groups at positions 3 and 5, respectively. It is a potent inhibitor of mitogen-activated protein kinases ERK1 and ERK2 (IC50 = 4 and 1 nM, respectively) that exhibits anti-cancer properties. It has a role as an analgesic, an antineoplastic agent, an apoptosis inducer and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a secondary carboxamide, a tertiary carboxamide, a member of pyridines, a member of indazoles, a member of pyrimidines, a pyrrolidinecarboxamide, a N-alkylpyrrolidine, a N-acylpiperazine, a N-arylpiperazine, a tertiary amino compound and a biaryl.
| CAS Number | 942183-80-4 |
| PubChem CID | 24866313 |
| IUPAC Name | (3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Formula | C33H33N9O2 |
| Molecular Weight | 587.7 |
| XLogP | 2.5 |
| Topological Polar Surface Area | 123 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 957 |
| Property | Value |
|---|---|
| Molecular Weight | 587.7 |
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 587.27572133 |
| Monoisotopic Mass | 587.27572133 |
| Topological Polar Surface Area | 123 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 957 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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