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

Systemtic Name: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-pentyl-pyrimidin-4-amine Openeye Name: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-pentyl-pyrimidin-4-amine CAS Name: 2-[1-[(2-fluorophenyl)methyl]-3-pyrazolo[3,4-b]pyridinyl]-5-pentyl-4-pyrimidinamine IUPAC Name: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-pentylpyrimidin-4-amine Traditional Name: [5-amyl-2-[1-(2-fluorobenzyl)pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-yl]amine Formula: C22H23FN6 MolecularWeight: 390.456623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F

Isomeric SMILES

CCCCCC1=CN=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F

InChI

InChI=1S/C22H23FN6/c1-2-3-4-8-15-13-26-21(27-20(15)24)19-17-10-7-12-25-22(17)29(28-19)14-16-9-5-6-11-18(16)23/h5-7,9-13H,2-4,8,14H2,1H3,(H2,24,26,27)