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Also known as: 2505078-08-8, Blu-263, 6fbm4cp6rk, Blu263, Exampl4 4 [wo2020210293a1], 1h-pyrazole-1-ethanol, 4-(4-(4-(5-((1s)-1-amino-1-(4-fluorophenyl)ethyl)-2-pyrimidinyl)-1-piperazinyl)pyrrolo(2,1-f)(1,2,4)triazin-6-yl)-

Molecular Formula

C₂₇H₂₉FN₁₀O

Molecular Weight

528.6 g/mol

InChI Key

IPMARPMXSFFZFG-MHZLTWQESA-N

FDA UNII

6FBM4CP6RK

ELENESTINIB is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 2 investigational indications.

1 2D Structure

Elenestinib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-[4-[4-[5-[(1S)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]ethanol

2.1.2 InChI

InChI=1S/C27H29FN10O/c1-27(29,21-2-4-23(28)5-3-21)22-14-30-26(31-15-22)36-8-6-35(7-9-36)25-24-12-19(17-38(24)34-18-32-25)20-13-33-37(16-20)10-11-39/h2-5,12-18,39H,6-11,29H2,1H3/t27-/m0/s1

2.1.3 InChI Key

IPMARPMXSFFZFG-MHZLTWQESA-N

2.2 Other Identifiers

2.2.1 UNII

6FBM4CP6RK

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2505078-08-8

2. Blu-263

3. 6fbm4cp6rk

4. Blu263

5. Exampl4 4 [wo2020210293a1]

6. 1h-pyrazole-1-ethanol, 4-(4-(4-(5-((1s)-1-amino-1-(4-fluorophenyl)ethyl)-2-pyrimidinyl)-1-piperazinyl)pyrrolo(2,1-f)(1,2,4)triazin-6-yl)-

7. 2-[4-[4-[4-[5-[(1s)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]ethanol

8. 1h-pyrazole-1-ethanol, 4-[4-[4-[5-[(1s)-1-amino-1-(4-fluorophenyl)ethyl]-2-pyrimidinyl]-1-piperazinyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-

9. 4-[4-[4-[5-[(1s)-1-amino-1-(4-fluorophenyl)ethyl]-2-pyrimidinyl]-1-piperazinyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1h-pyrazole-1-ethanol

10. Exampl4 4 (wo2020210293a1)

11. 2-(4-(4-(4-(5-((1s)-1-amino-1-(4-fluorophenyl)ethyl)pyrimidin-2-yl)piperazin-1-yl)pyrrolo(2,1-f)(1,2,4)triazin-6-yl)-1h-pyrazol-1-yl)ethan-1-ol

12. 2-(4-(4-(4-(5-((1s)-1-amino-1-(4-fluorophenyl)ethyl)pyrimidin-2-yl)piperazin-1-yl)pyrrolo(2,1-f)(1,2,4)triazin-6-yl)pyrazol-1-yl)ethanol

13. 2-{4-[4-(4-{5-[(1s)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl}piperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1h-pyrazol-1-yl}ethan-1-ol

14. 4-(4-(4-(5-((1s)-1-amino-1-(4-fluorophenyl)ethyl)-2-pyrimidinyl)-1-piperazinyl)pyrrolo(2,1-f)(1,2,4)triazin-6-yl)-1h-pyrazole-1-ethanol

15. Refchem:136476

16. Blu 263

17. D816v-mutant Kit Inhibitor Blu-263

18. Kit D816v Mutant-selective Inhibitor Blu-263

19. Elenestinib [usan]

20. Unii-6fbm4cp6rk

21. Who 12608

22. Elenestinib (usan)

23. (s)-2-(4-(4-(4-(5-(1-amino-1-(4-fluorophenyl)ethyl)pyrimidin-2-yl)piperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-6-yl)-1h-pyrazol-1-yl)ethan-1-ol

24. (s)-2-(4-(4-(4-(5-(1-amino-1-(4-fluorophenyl)ethyl)pyrimidin-2-yl)piperazin-1-yl)pyrrolo(2,1-f)(1,2,4)triazin-6-yl)-1h-pyrazol-1-yl)ethan-1-ol

25. Elenestinib [inn]

26. Elenestinib(blu-263)

27. Orb1298206

28. Chembl5314552

29. Schembl22527434

30. Gtpl12357

31. Glxc-26842

32. Ex-a4620

33. At32812

34. Ac-37128

35. Da-73060

36. Ms-29783

37. Hy-152839

38. Cs-0641116

39. D12450

40. 2-{4-[4-(4-{5-[(1s)-1-amino-1-(4- Fluorophenyl)ethyl]pyrimidin-2-yl}piperazin-1- Yl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1h-pyrazol-1- Yl}ethan-1-ol

2.4 Create Date

2020-12-19

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₂₉FN₁₀O
Molecular Weight	528.6 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	127
Heavy Atom Count	39
Formal Charge	0
Complexity	789
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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