Metabolite Momelotinib M28 metabolite
- Name
- Momelotinib M28 metabolite
- Description
- Not Available
- Structure
Structure for Momelotinib M28 metabolite
- Synonyms
- Not Available
- UNII
- BLN91TFF2I
- CAS number
- Not Available
- Weight
- Average: 389.415
Monoisotopic: 389.148789492 - Chemical Formula
- C21H19N5O3
- InChI Key
- FAFVMTYJSZEJOF-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H19N5O3/c22-20(28)15-3-1-14(2-4-15)18-9-10-23-21(25-18)24-16-5-7-17(8-6-16)26-11-12-29-13-19(26)27/h1-10H,11-13H2,(H2,22,28)(H,23,24,25)
- IUPAC Name
- 4-(2-{[4-(3-oxomorpholin-4-yl)phenyl]amino}pyrimidin-4-yl)benzamide
- SMILES
- NC(=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
- ChemSpider
- 81367251
- Predicted Properties
Property Value Source logP 1.81 Chemaxon pKa (Strongest Acidic) 13.18 Chemaxon pKa (Strongest Basic) 1.98 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 110.44 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 107.46 m3·mol-1 Chemaxon Polarizability 40.3 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