Metabolite M8 Erdafitinib

Name
M8 Erdafitinib
Description
Not Available
Structure
3D
Similar Structures
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 361.405
Monoisotopic: 361.153874872
Chemical Formula
C20H19N5O2
InChI Key
BHFGEPMLMSSSSI-UHFFFAOYSA-N
InChI
InChI=1S/C20H19N5O2/c1-25-12-13(10-22-25)20-11-21-18-5-4-14(8-19(18)24-20)23-15-6-16(26-2)9-17(7-15)27-3/h4-12,23H,1-3H3
IUPAC Name
N-(3,5-dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine
SMILES
COC1=CC(OC)=CC(NC2=CC=C3N=CC(=NC3=C2)C2=CN(C)N=C2)=C1
Reactions
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
ChemSpider
110801186
ChEMBL
CHEMBL4449692
Predicted Properties
PropertyValueSource
logP2.88Chemaxon
pKa (Strongest Acidic)18.79Chemaxon
pKa (Strongest Basic)2.15Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area74.09 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity112.53 m3·mol-1Chemaxon
Polarizability39.23 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon