Metabolite Momelotinib M15 metabolite
- Name
- Momelotinib M15 metabolite
- Description
- Not Available
- Structure
Structure for Momelotinib M15 metabolite
- Synonyms
- Not Available
- UNII
- 8S2RNK5CL2
- CAS number
- Not Available
- Weight
- Average: 432.484
Monoisotopic: 432.190988657 - Chemical Formula
- C23H24N6O3
- InChI Key
- ZTNRZWLNYOZFGK-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H24N6O3/c24-21(30)15-26-22(31)17-3-1-16(2-4-17)20-9-10-25-23(28-20)27-18-5-7-19(8-6-18)29-11-13-32-14-12-29/h1-10H,11-15H2,(H2,24,30)(H,26,31)(H,25,27,28)
- IUPAC Name
- 2-{[4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)phenyl]formamido}acetamide
- SMILES
- NC(=O)CNC(=O)C1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 81367219
- Predicted Properties
Property Value Source logP 1.84 Chemaxon pKa (Strongest Acidic) 14.3 Chemaxon pKa (Strongest Basic) 2.62 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 122.47 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 121.3 m3·mol-1 Chemaxon Polarizability 45.7 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 Yes Chemaxon