Products 2696450-27-6

CAS 2696450-27-6 is the registry number for BTK inhibitor 20. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one (CAS 2696450-27-6) is a chemical compound with the molecular formula C37H42N8O4 and a molecular weight of 662.8 g/mol. IUPAC name: 10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one. InChIKey: AHCYLQZSJZNAJF-QHCPKHFHSA-N.

Identity
Molecular formulaC37H42N8O4
Molecular weight662.8 g/mol
IUPAC name10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one
InChIKeyAHCYLQZSJZNAJF-QHCPKHFHSA-N
SMILESC[C@H]1CN(CCN1C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5C=CN6C7=C(CC(C7)(C)C)C=C6C5=O)CO)C8COC8

Computed by PubChem (NCBI)