loader
Please Wait
Applying Filters...

AbbVie Header AbbVie Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 1420478-88-1, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 1420478-88-1

    Manufacturers/Suppliers

    PharmaCompass

    Naprod is a top player in Oncology & Anesthesia FDF through excellent innovation, discovery of new processes & high-quality production.

    Skyepharma, an Expert and Innovative CDMO Partner for tailor-made solutions in complex oral solids and bioproduction.

    2D Structure
    1. Also known as: 1420478-88-1, Benzyl (2s)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate, 1-pyrrolidinecarboxylic acid, 2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-, phenylmethyl ester, (2s)-, Benzyl (2s)-2-{8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl}pyrrolidine-1-carboxylate, Benzyl (2s)-2-{8-amino-1-bromoimidazo[1,5-a]pyrazin-3-ylpyrrolidine-1-carboxylate, Schembl14651434
    Molecular Formula
    C18H18BrN5O2
    Molecular Weight
    416.3  g/mol
    InChI Key
    DLXYYJDQLZHBNU-ZDUSSCGKSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C18H18BrN5O2/c19-15-14-16(20)21-8-10-24(14)17(22-15)13-7-4-9-23(13)18(25)26-11-12-5-2-1-3-6-12/h1-3,5-6,8,10,13H,4,7,9,11H2,(H2,20,21)/t13-/m0/s1
    2.1.3 InChI Key
    DLXYYJDQLZHBNU-ZDUSSCGKSA-N
    2.1.4 Canonical SMILES
    C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C3=NC(=C4N3C=CN=C4N)Br
    2.1.5 Isomeric SMILES
    C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C3=NC(=C4N3C=CN=C4N)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1420478-88-1

    2. Benzyl (2s)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate

    3. 1-pyrrolidinecarboxylic Acid, 2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-, Phenylmethyl Ester, (2s)-

    4. Benzyl (2s)-2-{8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl}pyrrolidine-1-carboxylate

    5. Benzyl (2s)-2-{8-amino-1-bromoimidazo[1,5-a]pyrazin-3-ylpyrrolidine-1-carboxylate

    6. Schembl14651434

    7. Dtxsid301112019

    8. Amy12399

    9. Mfcd30184899

    10. Zinc144306025

    11. Ac-30657

    12. As-53182

    13. Cs-0049898

    14. P16170

    15. A902889

    16. (s)-benzyl2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate

    17. Benzyl (s)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate

    2.3 Create Date
    2013-03-21
    3 Chemical and Physical Properties
    Molecular Weight 416.3 g/mol
    Molecular Formula C18H18BrN5O2
    XLogP33.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass415.06439 g/mol
    Monoisotopic Mass415.06439 g/mol
    Topological Polar Surface Area85.8 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity504
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY