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LY-2584702 free base

CAT: 0127-BUP08720-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP08720-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1082949-67-4
Purity
=98%
Smiles
CN1C(C2CCN(C3=C4C(=NC=N3)NN=C4)CC2)=NC(=C1)C5=CC(C(F)(F)F)=C(F)C=C5

Chemical Information

Ly-2584702

LY2584702 has been used in trials studying the treatment of Cancer, Advanced Cancer, Renal Cell Carcinoma, Metastases, Neoplasm, and Neuroendocrine Tumors, among others.

CAS Number1082949-67-4
PubChem CID25118925
IUPAC Name4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
Molecular FormulaC21H19F4N7
Molecular Weight445.4
XLogP3.6
Topological Polar Surface Area75.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity644
SMILES
CN1C=C(N=C1C2CCN(CC2)C3=NC=NC4=C3C=NN4)C5=CC(=C(C=C5)F)C(F)(F)F
InChI
InChI=1S/C21H19F4N7/c1-31-10-17(13-2-3-16(22)15(8-13)21(23,24)25)29-19(31)12-4-6-32(7-5-12)20-14-9-28-30-18(14)26-11-27-20/h2-3,8-12H,4-7H2,1H3,(H,26,27,28,30)
InChIKey
FYXRSVDHGLUMHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ly-2584702
CAS: 1082949-67-4
CID: 25118925
Formula: C21H19F4N7
MW: 445.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass445.16380628
Monoisotopic Mass445.16380628
Topological Polar Surface Area75.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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