N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]indole-2-carboxamide

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]indole-2-carboxamide Openeye Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1-[2-(dimethylamino)-2-oxo-ethyl]indole-2-carboxamide CAS Name: N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-1-[2-(dimethylamino)-2-oxoethyl]-2-indolecarboxamide IUPAC Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-2-carboxamide Traditional Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1-[2-(dimethylamino)-2-keto-ethyl]indole-2-carboxamide Formula: C30H33N9O3 MolecularWeight: 567.64152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1C2=CC=CC=C2C=C1C(=O)NC3=C(C=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)C6CCNCC6)OC

Isomeric SMILES

CN(C)C(=O)CN1C2=CC=CC=C2C=C1C(=O)NC3=C(C=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)C6CCNCC6)OC

InChI

InChI=1S/C30H33N9O3/c1-37(2)25(40)16-38-22-7-5-4-6-18(22)14-23(38)30(41)35-21-9-8-19(15-24(21)42-3)27-26-28(31)33-17-34-29(26)39(36-27)20-10-12-32-13-11-20/h4-9,14-15,17,20,32H,10-13,16H2,1-3H3,(H,35,41)(H2,31,33,34)