N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-2-fluoranyl-5-methyl-benzamide

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-2-fluoranyl-5-methyl-benzamide Openeye Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoro-5-methyl-benzamide CAS Name: N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2-fluoro-5-methylbenzamide IUPAC Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-2-fluoro-5-methylbenzamide Traditional Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoro-5-methyl-benzamide Formula: C25H26FN7O2 MolecularWeight: 475.518043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)C(=O)NC2=C(C=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5)OC

Isomeric SMILES

CC1=CC(=C(C=C1)F)C(=O)NC2=C(C=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5)OC

InChI

InChI=1S/C25H26FN7O2/c1-14-3-5-18(26)17(11-14)25(34)31-19-6-4-15(12-20(19)35-2)22-21-23(27)29-13-30-24(21)33(32-22)16-7-9-28-10-8-16/h3-6,11-13,16,28H,7-10H2,1-2H3,(H,31,34)(H2,27,29,30)