2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-hexyl-pyrimidin-4-amine

Systemtic Name: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-hexyl-pyrimidin-4-amine Openeye Name: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-hexyl-pyrimidin-4-amine CAS Name: 2-[1-[(2-fluorophenyl)methyl]-3-pyrazolo[3,4-b]pyridinyl]-5-hexyl-4-pyrimidinamine IUPAC Name: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-hexylpyrimidin-4-amine Traditional Name: [2-[1-(2-fluorobenzyl)pyrazolo[3,4-b]pyridin-3-yl]-5-hexyl-pyrimidin-4-yl]amine Formula: C23H25FN6 MolecularWeight: 404.483203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F

Isomeric SMILES

CCCCCCC1=CN=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F

InChI

InChI=1S/C23H25FN6/c1-2-3-4-5-9-16-14-27-22(28-21(16)25)20-18-11-8-13-26-23(18)30(29-20)15-17-10-6-7-12-19(17)24/h6-8,10-14H,2-5,9,15H2,1H3,(H2,25,27,28)