Metabolite Momelotinib M20 metabolite
- Name
- Momelotinib M20 metabolite
- Description
- Not Available
- Structure
Structure for Momelotinib M20 metabolite
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 374.404
Monoisotopic: 374.149123844 - Chemical Formula
- C20H18N6O2
- InChI Key
- YSJMAKPHEYRNGP-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H18N6O2/c1-26(28)17-8-6-16(7-9-17)24-20-23-12-10-18(25-20)14-2-4-15(5-3-14)19(27)22-13-11-21/h2-10,12,26H,13H2,1H3,(H,22,27)(H,23,24,25)
- IUPAC Name
- N-(cyanomethyl)-4-(2-{[4-(methylnitroso)phenyl]amino}pyrimidin-4-yl)benzamide
- SMILES
- CN(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CC=C(C=C2)C(=O)NCC#N)C=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP -2.5 Chemaxon pKa (Strongest Acidic) 12.96 Chemaxon pKa (Strongest Basic) 6.76 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 131.24 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 115.43 m3·mol-1 Chemaxon Polarizability 39.12 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon