Metabolite LP-951757
- Name
- LP-951757
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- G2KAQ22E7R
- CAS number
- Not Available
- Weight
- Average: 517.89
Monoisotopic: 517.1128517 - Chemical Formula
- C24H19ClF3N5O3
- InChI Key
- KDVABMWWGATWDT-JOCHJYFZSA-N
- InChI
- InChI=1S/C24H19ClF3N5O3/c1-13-8-9-33(32-13)19-10-16(25)6-7-17(19)22(24(26,27)28)36-21-11-18(30-23(29)31-21)14-2-4-15(5-3-14)20(35)12-34/h2-11,22,34H,12H2,1H3,(H2,29,30,31)/t22-/m1/s1
- IUPAC Name
- 1-(4-{2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl}phenyl)-2-hydroxyethan-1-one
- SMILES
- CC1=NN(C=C1)C1=CC(Cl)=CC=C1[C@@H](OC1=CC(=NC(N)=N1)C1=CC=C(C=C1)C(=O)CO)C(F)(F)F
- Reactions
- Telotristat ethyl Telotristat
- Telotristat M1 telotristat
- M1 telotristat M2 telotristat
- M2 telotristat LP-951757
- M1 telotristat M2 telotristat
- Telotristat M1 telotristat
- Telotristat ethyl Telotristat
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0039 mg/mL ALOGPS logP 4.77 ALOGPS logP 4.67 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 13.77 Chemaxon pKa (Strongest Basic) 4.53 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 116.15 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 128.51 m3·mol-1 Chemaxon Polarizability 47.97 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon