Metabolite Leniolisib M1 metabolite
- Name
- Leniolisib M1 metabolite
- Description
- Not Available
- Structure
Structure for Leniolisib M1 metabolite
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 436.439
Monoisotopic: 436.183458494 - Chemical Formula
- C20H23F3N6O2
- InChI Key
- YDVBKBNWSNMKPD-LBPRGKRZSA-N
- InChI
- InChI=1S/C20H23F3N6O2/c1-2-17(30)29-5-3-12(9-29)27-18-14-10-28(6-4-16(14)25-11-26-18)13-7-15(20(21,22)23)19(31)24-8-13/h7-8,11-12H,2-6,9-10H2,1H3,(H,24,31)(H,25,26,27)/t12-/m0/s1
- IUPAC Name
- 1-[(3S)-3-({6-[6-hydroxy-5-(trifluoromethyl)pyridin-3-yl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-yl}amino)pyrrolidin-1-yl]propan-1-one
- SMILES
- CCC(=O)N1CC[C@@H](C1)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 1.86 Chemaxon pKa (Strongest Acidic) 11.46 Chemaxon pKa (Strongest Basic) 5.43 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 94.48 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 110.6 m3·mol-1 Chemaxon Polarizability 41.59 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon