N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-2-phenyl-cyclopropane-1-carboxamide

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-2-phenyl-cyclopropane-1-carboxamide Openeye Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-phenyl-cyclopropanecarboxamide CAS Name: N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2-phenyl-1-cyclopropanecarboxamide IUPAC Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-2-phenylcyclopropane-1-carboxamide Traditional Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-phenyl-cyclopropanecarboxamide Formula: C27H29N7O2 MolecularWeight: 483.56486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5CC5C6=CC=CC=C6

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5CC5C6=CC=CC=C6

InChI

InChI=1S/C27H29N7O2/c1-36-22-13-17(7-8-21(22)32-27(35)20-14-19(20)16-5-3-2-4-6-16)24-23-25(28)30-15-31-26(23)34(33-24)18-9-11-29-12-10-18/h2-8,13,15,18-20,29H,9-12,14H2,1H3,(H,32,35)(H2,28,30,31)