Metabolite Momelotinib M8 metabolite
- Name
- Momelotinib M8 metabolite
- Description
- Not Available
- Structure
Structure for Momelotinib M8 metabolite
- Synonyms
- Not Available
- UNII
- UA74B6U7VS
- CAS number
- Not Available
- Weight
- Average: 446.467
Monoisotopic: 446.170253212 - Chemical Formula
- C23H22N6O4
- InChI Key
- BJJIJMPGZOSUPK-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H22N6O4/c24-20(30)13-26-22(32)16-3-1-15(2-4-16)19-9-10-25-23(28-19)27-17-5-7-18(8-6-17)29-11-12-33-14-21(29)31/h1-10H,11-14H2,(H2,24,30)(H,26,32)(H,25,27,28)
- IUPAC Name
- 2-{[4-(2-{[4-(3-oxomorpholin-4-yl)phenyl]amino}pyrimidin-4-yl)phenyl]formamido}acetamide
- SMILES
- NC(=O)CNC(=O)C1=CC=C(C=C1)C1=NC(NC2=CC=C(C=C2)N2CCOCC2=O)=NC=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP 0.7 Chemaxon pKa (Strongest Acidic) 13.2 Chemaxon pKa (Strongest Basic) 1.98 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 139.54 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 120.26 m3·mol-1 Chemaxon Polarizability 45.95 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