4-[[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]carbamoyl]benzoic acid

Systemtic Name: 4-[[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]carbamoyl]benzoic acid Openeye Name: 4-[[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]carbamoyl]benzoic acid CAS Name: 4-[[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyanilino]-oxomethyl]benzoic acid IUPAC Name: 4-[[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]carbamoyl]benzoic acid Traditional Name: 4-[[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]carbamoyl]benzoic acid Formula: C25H25N7O4 MolecularWeight: 487.5105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N7O4/c1-36-19-12-16(6-7-18(19)30-24(33)14-2-4-15(5-3-14)25(34)35)21-20-22(26)28-13-29-23(20)32(31-21)17-8-10-27-11-9-17/h2-7,12-13,17,27H,8-11H2,1H3,(H,30,33)(H,34,35)(H2,26,28,29)