3-(2,6-Difluoro-3,5-dimethoxyphenyl)-1-ethyl-1,3,4,7-tetrahydro-8-(4-morpholinylmethyl)-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one
[CAS# 1513857-77-6]

Identification

• Name: 3-(2,6-Difluoro-3,5-dimethoxyphenyl)-1-ethyl-1,3,4,7-tetrahydro-8-(4-morpholinylmethyl)-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one
• Synonyms: Pemazyre; Pemigatinib
• Molecular Formula: C₂₄H₂₇F₂N₅O₄
• Molecular Weight: 487.50
• CAS Registry Number: 1513857-77-6
• SMILES: O=C1N(C=2C(F)=C(OC)C=C(OC)C2F)CC3=CNC4=NC(=CC4=C3N1CC)CN5CCOCC5

Properties

• Solubility: Insoluble (1.0E^-3 g/L) (25 °C), Calc.^*
• pKa: 11.56±0.30 (Most basic 25 °C), Calc.^*
• Density: 1.44±0.1 g/cm³ (20 °C 760 Torr), Calc.^*
• Boiling point: 697.6±55.0 °C (760 Torr), Calc.^*
• Flash point: 375.7±37.5 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2022 ACD/Labs)