(2S,4R)-1-[2-[3-Acetyl-5-(2-methyl-5-pyrimidinyl)-1H-indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-2-Pyrrolidinecarboxamide
[CAS# 1903768-17-1]

Identification

• Name: (2S,4R)-1-[2-[3-Acetyl-5-(2-methyl-5-pyrimidinyl)-1H-indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-2-Pyrrolidinecarboxamide
• Synonyms: ACH 0144471; ACH 4471; Danicopan
• Molecular Formula: C₂₆H₂₃BrFN₇O₃
• Molecular Weight: 580.41
• CAS Registry Number: 1903768-17-1
• EC Number: 968-712-2
• SMILES: C(C)(=O)C=1C=2C(N(CC(=O)N3[C@H](C(NC=4N=C(Br)C=CC4)=O)C[C@@H](F)C3)N1)=CC=C(C2)C=5C=NC(C)=NC5

Properties

• Solubility: Insoluble (4.0E^-4 g/L g/L) (25 ºC), Calc.^*
• pKa: 11.48±0.40 (Most acidic 25 ºC), Calc.^*
• Density: 1.61±0.1 g/cm³ (20 ºC 760 Torr), Calc.^*
• Boiling point: 841.7±55.0 ºC (760 Torr), Calc.^*
• Flash point: 462.8±34.3 ºC, Calc.^*

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

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302-H315-H319-H335
• Precautionary Statements: P261-P305+P351+P338

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Reproductive toxicity	Repr.	2	H361fd