Metabolite M6 Erdafitinib
- Name
- M6 Erdafitinib
- Description
- Not Available
- Structure
Structure for M6 Erdafitinib
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 432.528
Monoisotopic: 432.227374166 - Chemical Formula
- C24H28N6O2
- InChI Key
- ZXPUNZSPQJIHJB-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H28N6O2/c1-16(2)25-7-8-30(19-9-20(31)12-21(10-19)32-4)18-5-6-22-23(11-18)28-24(14-26-22)17-13-27-29(3)15-17/h5-6,9-16,25,31H,7-8H2,1-4H3
- IUPAC Name
- 3-methoxy-5-{[3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl]({2-[(propan-2-yl)amino]ethyl})amino}phenol
- SMILES
- COC1=CC(=CC(O)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 76817318
- ChEMBL
- CHEMBL3893642
- Predicted Properties
Property Value Source logP 2.7 Chemaxon pKa (Strongest Acidic) 9.36 Chemaxon pKa (Strongest Basic) 10 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 88.33 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 134.84 m3·mol-1 Chemaxon Polarizability 48.97 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon