N-(2-dimethylaminoethyl)-N-[[1-[4-[1-[(6-ethoxypyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]carbonylpiperidin-4-yl]methyl]cyclopropanecarboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-[[1-[4-[1-[(6-ethoxypyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]carbonylpiperidin-4-yl]methyl]cyclopropanecarboxamide Openeye Name: N-(2-dimethylaminoethyl)-N-[[1-[4-[1-[(6-ethoxy-2-pyridyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]-4-piperidyl]methyl]cyclopropanecarboxamide CAS Name: N-(2-dimethylaminoethyl)-N-[[1-[[4-[1-[(6-ethoxy-2-pyridinyl)methyl]-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-oxomethyl]-4-piperidinyl]methyl]cyclopropanecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-N-[[1-[4-[1-[(6-ethoxypyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-4-yl]methyl]cyclopropanecarboxamide Traditional Name: N-(2-dimethylaminoethyl)-N-[[1-[4-[1-[(6-ethoxy-2-pyridyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]-4-piperidyl]methyl]cyclopropanecarboxamide Formula: C32H46N10O3 MolecularWeight: 618.77284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=N1)CN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C(=O)N5CCC(CC5)CN(CCN(C)C)C(=O)C6CC6

Isomeric SMILES

CCOC1=CC=CC(=N1)CN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C(=O)N5CCC(CC5)CN(CCN(C)C)C(=O)C6CC6

InChI

InChI=1S/C32H46N10O3/c1-4-45-28-7-5-6-26(36-28)22-42-30-27(20-35-42)29(33-23-34-30)38-16-18-40(19-17-38)32(44)39-12-10-24(11-13-39)21-41(15-14-37(2)3)31(43)25-8-9-25/h5-7,20,23-25H,4,8-19,21-22H2,1-3H3