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Chemical structure of LY3405105

GC25594

LY3405105

Also known as [1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl] 4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate

LY3405105 is an orally active CDK7 inhibitor with an IC50 of 92·8 nM· LY3405105 shows potential antineoplastic activity

ChemicalCAS2326428-25-3MW497.63FormulaC26H39N7O3
CAS number
2326428-25-3
Molecular weight
497.63
Formula
C26H39N7O3
Solubility
DMSO： 99 mg/mL (198·94 mM);Water： Insoluble;Ethanol： 99 mg/mL (198·94 mM)
InChIKey
GRDAHPJRLCTJNA-VOTSOKGWSA-N
Catalogue number
GC25594
Brand
GLPBIO
Computed properties PubChem CID 138608764 · XLogP 2.6 · TPSA 95.3 Ų · H-bond donors 1
XLogP
2.6
TPSA
95.3 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
36

SMILES CC1=NC2=C(C=NN2C(=C1)NC3CCN(CC3)C(=O)OC4CCN(C4)C(=O)/C=C/CN(C)C)C(C)C

Computed descriptors from PubChem (CID 138608764), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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