5-[5-phenyl-6-[4-[(4-pyrazolo[3,4-b]pyridin-1-ylpiperidin-1-yl)methyl]phenyl]pyridin-3-yl]-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[5-phenyl-6-[4-[(4-pyrazolo[3,4-b]pyridin-1-ylpiperidin-1-yl)methyl]phenyl]pyridin-3-yl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-[5-phenyl-6-[4-[(4-pyrazolo[3,4-b]pyridin-1-yl-1-piperidyl)methyl]phenyl]-3-pyridyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[5-phenyl-6-[4-[[4-(1-pyrazolo[3,4-b]pyridinyl)-1-piperidinyl]methyl]phenyl]-3-pyridinyl]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[5-phenyl-6-[4-[(4-pyrazolo[3,4-b]pyridin-1-ylpiperidin-1-yl)methyl]phenyl]pyridin-3-yl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[5-phenyl-6-[4-[(4-pyrazolo[3,4-b]pyridin-1-ylpiperidino)methyl]phenyl]-3-pyridyl]-1,3,4-thiadiazol-2-yl]amine Formula: C31H28N8S MolecularWeight: 544.67262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(C=CC=N3)C=N2)CC4=CC=C(C=C4)C5=C(C=C(C=N5)C6=NN=C(S6)N)C7=CC=CC=C7

Isomeric SMILES

C1CN(CCC1N2C3=C(C=CC=N3)C=N2)CC4=CC=C(C=C4)C5=C(C=C(C=N5)C6=NN=C(S6)N)C7=CC=CC=C7

InChI

InChI=1S/C31H28N8S/c32-31-37-36-30(40-31)25-17-27(22-5-2-1-3-6-22)28(34-18-25)23-10-8-21(9-11-23)20-38-15-12-26(13-16-38)39-29-24(19-35-39)7-4-14-33-29/h1-11,14,17-19,26H,12-13,15-16,20H2,(H2,32,37)