Metabolite Trametinib M3 metabolite
- Name
- Trametinib M3 metabolite
- Description
- Not Available
- Structure
Structure for Trametinib M3 metabolite
- Synonyms
- Not Available
- UNII
- 46E54BA8ND
- CAS number
- Not Available
- Weight
- Average: 589.366
Monoisotopic: 589.06223 - Chemical Formula
- C24H21FIN5O4
- InChI Key
- KYXOFPAKDRWYQM-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H21FIN5O4/c1-11-20-19(21(29(2)22(11)33)28-17-7-3-12(26)9-15(17)25)23(34)31(13-4-5-13)24(35)30(20)14-6-8-18(32)16(27)10-14/h3,6-10,13,28,32H,4-5,27H2,1-2H3
- IUPAC Name
- 1-(3-amino-4-hydroxyphenyl)-3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-1H,2H,3H,4H,6H,7H-pyrido[4,3-d]pyrimidine-2,4,7-trione
- SMILES
- CN1C(=O)C(C)=C2N(C(=O)N(C3CC3)C(=O)C2=C1NC1=CC=C(I)C=C1F)C1=CC(N)=C(O)C=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 52083320
- Predicted Properties
Property Value Source logP 2.81 Chemaxon pKa (Strongest Acidic) 9.96 Chemaxon pKa (Strongest Basic) 3.72 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 119.21 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 148.2 m3·mol-1 Chemaxon Polarizability 51.91 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon