Metabolite M2 telotristat
- Name
- M2 telotristat
- Description
- Not Available
- Structure
Structure for M2 telotristat
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 503.91
Monoisotopic: 503.1335871 - Chemical Formula
- C24H21ClF3N5O2
- InChI Key
- XQQXUOXJRAOKJU-JOCHJYFZSA-N
- InChI
- InChI=1S/C24H21ClF3N5O2/c1-14-8-10-33(32-14)20-12-17(25)6-7-18(20)22(24(26,27)28)35-21-13-19(30-23(29)31-21)16-4-2-15(3-5-16)9-11-34/h2-8,10,12-13,22,34H,9,11H2,1H3,(H2,29,30,31)/t22-/m1/s1
- IUPAC Name
- 2-(4-{2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl}phenyl)ethan-1-ol
- SMILES
- CC1=NN(C=C1)C1=CC(Cl)=CC=C1[C@@H](OC1=CC(=NC(N)=N1)C1=CC=C(CCO)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 Water Solubility 0.00315 mg/mL ALOGPS logP 5.43 ALOGPS logP 5.45 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 15.64 Chemaxon pKa (Strongest Basic) 4.71 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 99.08 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 127.97 m3·mol-1 Chemaxon Polarizability 47.75 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon