N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-1H-indole-4-carboxamide; ethanoic acid

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-1H-indole-4-carboxamide; ethanoic acid Openeye Name: acetic acid; N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1H-indole-4-carboxamide CAS Name: acetic acid; N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-1H-indole-4-carboxamide IUPAC Name: acetic acid; N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1H-indole-4-carboxamide Traditional Name: acetic acid; N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1H-indole-4-carboxamide Formula: C28H30N8O4 MolecularWeight: 542.589

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5=C6C=CNC6=CC=C5

Isomeric SMILES

CC(=O)O.COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5=C6C=CNC6=CC=C5

InChI

InChI=1S/C26H26N8O2.C2H4O2/c1-36-21-13-15(5-6-20(21)32-26(35)18-3-2-4-19-17(18)9-12-29-19)23-22-24(27)30-14-31-25(22)34(33-23)16-7-10-28-11-8-16;1-2(3)4/h2-6,9,12-14,16,28-29H,7-8,10-11H2,1H3,(H,32,35)(H2,27,30,31);1H3,(H,3,4)