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    Elenestinib

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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 Weight 528.6 g/mol
    Molecular Formula C27H29FN10O
    XLogP31.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count7
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area127
    Heavy Atom Count39
    Formal Charge0
    Complexity789
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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