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

Systemtic Name: 7-azanyl-N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-1H-indole-2-carboxamide; ethanoic acid Openeye Name: acetic acid; 7-amino-N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1H-indole-2-carboxamide CAS Name: acetic acid; 7-amino-N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-1H-indole-2-carboxamide IUPAC Name: acetic acid; 7-amino-N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1H-indole-2-carboxamide Traditional Name: acetic acid; 7-amino-N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1H-indole-2-carboxamide Formula: C28H31N9O4 MolecularWeight: 557.60364

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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=CC6=C(N5)C(=CC=C6)N

Isomeric SMILES

CC(=O)O.COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5=CC6=C(N5)C(=CC=C6)N

InChI

InChI=1S/C26H27N9O2.C2H4O2/c1-37-20-12-15(5-6-18(20)33-26(36)19-11-14-3-2-4-17(27)22(14)32-19)23-21-24(28)30-13-31-25(21)35(34-23)16-7-9-29-10-8-16;1-2(3)4/h2-6,11-13,16,29,32H,7-10,27H2,1H3,(H,33,36)(H2,28,30,31);1H3,(H,3,4)