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

Systemtic Name: N-[4-[4-azanyl-1-(2-oxidanyl-3-piperidin-1-yl-propyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide Openeye Name: N-[4-[4-amino-1-[2-hydroxy-3-(1-piperidyl)propyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide CAS Name: N-[4-[4-amino-1-[2-hydroxy-3-(1-piperidinyl)propyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-1-methyl-2-indolecarboxamide IUPAC Name: N-[4-[4-amino-1-(2-hydroxy-3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide Traditional Name: N-[4-[4-amino-1-(2-hydroxy-3-piperidino-propyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide Formula: C30H34N8O3 MolecularWeight: 554.64276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C(=O)NC3=C(C=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)CC(CN6CCCCC6)O)OC

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)NC3=C(C=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)CC(CN6CCCCC6)O)OC

InChI

InChI=1S/C30H34N8O3/c1-36-23-9-5-4-8-19(23)14-24(36)30(40)34-22-11-10-20(15-25(22)41-2)27-26-28(31)32-18-33-29(26)38(35-27)17-21(39)16-37-12-6-3-7-13-37/h4-5,8-11,14-15,18,21,39H,3,6-7,12-13,16-17H2,1-2H3,(H,34,40)(H2,31,32,33)