N-[(1S)-1-phenylethyl]-4-[5-piperidin-4-yl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyridin-2-amine

Systemtic Name: N-[(1S)-1-phenylethyl]-4-[5-piperidin-4-yl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyridin-2-amine Openeye Name: N-[(1S)-1-phenylethyl]-4-[5-(4-piperidyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyridin-2-amine CAS Name: N-[(1S)-1-phenylethyl]-4-[5-(4-piperidinyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]-2-pyridinamine IUPAC Name: N-[(1S)-1-phenylethyl]-4-[5-piperidin-4-yl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyridin-2-amine Traditional Name: [(1S)-1-phenylethyl]-[4-[5-(4-piperidyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]-2-pyridyl]amine Formula: C30H28F3N7 MolecularWeight: 543.58543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=C2)C3=C(C4=NN=CN4C(=N3)C5CCNCC5)C6=CC(=CC=C6)C(F)(F)F

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC2=NC=CC(=C2)C3=C(C4=NN=CN4C(=N3)C5CCNCC5)C6=CC(=CC=C6)C(F)(F)F

InChI

InChI=1S/C30H28F3N7/c1-19(20-6-3-2-4-7-20)37-25-17-23(12-15-35-25)27-26(22-8-5-9-24(16-22)30(31,32)33)29-39-36-18-40(29)28(38-27)21-10-13-34-14-11-21/h2-9,12,15-19,21,34H,10-11,13-14H2,1H3,(H,35,37)/t19-/m0/s1