Lirafugratinib hydrochlorideProduct ingredient for Lirafugratinib
- Name
- Lirafugratinib hydrochloride
- Drug Entry
- Lirafugratinib
- Accession Number
- DBSALT003439
- Structure
Structure for Lirafugratinib hydrochloride (DBSALT003439)
- Synonyms
- 2-Propenamide, N-[4-[4-amino-5-[3-fluoro-4-[(4-methyl-2-pyrimidinyl)oxy]phenyl]-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methyl-, hydrochloride (1:1) / N-(4-(4-amino-5-(3-fluoro-4-((4-methylpyrimidin-2-yl)oxy)phenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl)methacrylamide hydrochloride / N-(4-(4-amino-5-(3-fluoro-4-((4-methylpyrimidin-2-yl)oxy)phenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl)methacrylamide, hydrochloride (1:1) / RLY-4008 HYDROCHLORIDE
- UNII
- 4P76F4XM3B
- CAS Number
- 2688040-45-9
- Weight
- Average: 546.0
Monoisotopic: 545.1742289 - Chemical Formula
- C28H25ClFN7O2
- InChI Key
- HLGJPRBWELSHLI-UHFFFAOYSA-N
- InChI
- InChI=1S/C28H24FN7O2.ClH/c1-15(2)27(37)35-19-8-5-17(6-9-19)24-22(23-25(30)32-14-33-26(23)36(24)4)18-7-10-21(20(29)13-18)38-28-31-12-11-16(3)34-28;/h5-14H,1H2,2-4H3,(H,35,37)(H2,30,32,33);1H
- IUPAC Name
- N-[4-(4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylprop-2-enamide hydrochloride
- SMILES
- Cl.CN1C2=NC=NC(N)=C2C(=C1C1=CC=C(NC(=O)C(C)=C)C=C1)C1=CC=C(OC2=NC=CC(C)=N2)C(F)=C1
- External Links
- ChemSpider
- 115037132
- Predicted Properties
Property Value Source logP 4.64 Chemaxon pKa (Strongest Acidic) 14.33 Chemaxon pKa (Strongest Basic) 7.19 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 120.84 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 145.35 m3·mol-1 Chemaxon Polarizability 52.99 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon