N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-5-fluoranyl-1H-indole-2-carboxamide

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-5-fluoranyl-1H-indole-2-carboxamide Openeye Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-5-fluoro-1H-indole-2-carboxamide CAS Name: N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-5-fluoro-1H-indole-2-carboxamide IUPAC Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-5-fluoro-1H-indole-2-carboxamide Traditional Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-5-fluoro-1H-indole-2-carboxamide Formula: C26H25FN8O2 MolecularWeight: 500.527503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25FN8O2/c1-37-21-12-14(2-4-19(21)33-26(36)20-11-15-10-16(27)3-5-18(15)32-20)23-22-24(28)30-13-31-25(22)35(34-23)17-6-8-29-9-7-17/h2-5,10-13,17,29,32H,6-9H2,1H3,(H,33,36)(H2,28,30,31)