Metabolite Leniolisib M48 metabolite
- Name
- Leniolisib M48 metabolite
- Description
- Not Available
- Structure
Structure for Leniolisib M48 metabolite
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 311.268
Monoisotopic: 311.099394515 - Chemical Formula
- C13H12F3N5O
- InChI Key
- ASLFDRVJQZESEM-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H12F3N5O/c14-13(15,16)9-3-7(4-18-12(9)22)21-2-1-10-8(5-21)11(17)20-6-19-10/h3-4,6H,1-2,5H2,(H,18,22)(H2,17,19,20)
- IUPAC Name
- 5-{4-amino-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-6-yl}-3-(trifluoromethyl)pyridin-2-ol
- SMILES
- NC1=C2CN(CCC2=NC=N1)C1=CN=C(O)C(=C1)C(F)(F)F
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP 1.67 Chemaxon pKa (Strongest Acidic) 11.46 Chemaxon pKa (Strongest Basic) 5.58 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 88.16 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 75.62 m3·mol-1 Chemaxon Polarizability 27.55 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon