Metabolite Momelotinib M5 metabolite
- Name
- Momelotinib M5 metabolite
- Description
- Not Available
- Structure
Structure for Momelotinib M5 metabolite
- Synonyms
- Not Available
- UNII
- 6YKA80H48Z
- CAS number
- Not Available
- Weight
- Average: 460.45
Monoisotopic: 460.149517768 - Chemical Formula
- C23H20N6O5
- InChI Key
- WSKQUDSRHSEGSW-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H20N6O5/c24-10-12-25-22(34)16-3-1-15(2-4-16)19-9-11-26-23(28-19)27-17-5-7-18(8-6-17)29(13-20(30)31)14-21(32)33/h1-9,11H,12-14H2,(H,25,34)(H,30,31)(H,32,33)(H,26,27,28)
- IUPAC Name
- 2-[(carboxymethyl)({4-[(4-{4-[(cyanomethyl)carbamoyl]phenyl}pyrimidin-2-yl)amino]phenyl})amino]acetic acid
- SMILES
- OC(=O)CN(CC(O)=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
- ChemSpider
- 81367203
- Predicted Properties
Property Value Source logP 1.58 Chemaxon pKa (Strongest Acidic) 3.35 Chemaxon pKa (Strongest Basic) 2.28 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 168.54 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 121.56 m3·mol-1 Chemaxon Polarizability 46.06 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon