KRIBB11

Chemical Information
KRIBB11 is a member of the class of indazoles that is 1H-indazole substituted by a [6-(methylamino)-3-nitropyridin-2-yl]amino group at position 5. It is an inhibitor of heat shock factor 1 (IC50 = 1.2M) and suppresses tumour growth in mouse xenograft models. It has a role as a heat shock factor 1 inhibitor, an antineoplastic agent and an apoptosis inducer. It is an aromatic amine, a C-nitro compound, an aminopyridine and a member of indazoles.
| CAS Number | 342639-96-7 |
| PubChem CID | 69894253 |
| IUPAC Name | 2-N-(1H-indazol-5-yl)-6-N-methyl-3-nitropyridine-2,6-diamine |
| Molecular Formula | C13H12N6O2 |
| Molecular Weight | 284.27 |
| XLogP | 3.1 |
| Topological Polar Surface Area | 111 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 376 |
| Property | Value |
|---|---|
| Molecular Weight | 284.27 |
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 284.10217365 |
| Monoisotopic Mass | 284.10217365 |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 376 |
| 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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