1-[4-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]carbonylpyrazol-1-yl]ethanone

Systemtic Name: 1-[4-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]carbonylpyrazol-1-yl]ethanone Openeye Name: 1-[4-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]benzoyl]pyrazol-1-yl]ethanone CAS Name: 1-[4-[[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]phenyl]-oxomethyl]-1-pyrazolyl]ethanone IUPAC Name: 1-[4-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)benzoyl]pyrazol-1-yl]ethanone Traditional Name: 1-[4-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]benzoyl]pyrazol-1-yl]ethanone Formula: C22H22N8O2 MolecularWeight: 430.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C=N1)C(=O)C2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5

Isomeric SMILES

CC(=O)N1C=C(C=N1)C(=O)C2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5

InChI

InChI=1S/C22H22N8O2/c1-13(31)29-11-16(10-27-29)20(32)15-4-2-14(3-5-15)19-18-21(23)25-12-26-22(18)30(28-19)17-6-8-24-9-7-17/h2-5,10-12,17,24H,6-9H2,1H3,(H2,23,25,26)