Galunisertib (LY2157299)

Chemical Information
LY-2157299 is a pyrrolopyrazole that is 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole which is substituted at positions 2 and 3 by 6-methylpyridin-2-yl and 6-(aminocarbonyl)quinolin-4-yl groups, respectively. A Transforming growth factor-betaRI (TGF-betaRI) kinase inhibitor, it blocks TGF-beta-mediated tumor growth in glioblastoma. It has a role as an antineoplastic agent and a TGFbeta receptor antagonist. It is a member of methylpyridines, a member of quinolines, a monocarboxylic acid amide, a pyrrolopyrazole and an aromatic amide.
| CAS Number | 700874-72-2 |
| PubChem CID | 10090485 |
| IUPAC Name | 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide |
| Molecular Formula | C22H19N5O |
| Molecular Weight | 369.4 |
| XLogP | 2.4 |
| Topological Polar Surface Area | 86.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 585 |
| Property | Value |
|---|---|
| Molecular Weight | 369.4 |
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 369.15896025 |
| Monoisotopic Mass | 369.15896025 |
| Topological Polar Surface Area | 86.7 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 585 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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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