(phenylmethyl) 3-[3-cyclopropyl-7-(pyridin-3-ylcarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[3-cyclopropyl-7-(pyridin-3-ylcarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate Openeye Name: benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate CAS Name: 3-[3-cyclopropyl-7-[[oxo(3-pyridinyl)methyl]amino]-5-pyrazolo[1,5-a]pyrimidinyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate Traditional Name: 3-(3-cyclopropyl-7-nicotinamido-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid benzyl ester Formula: C28H28N6O3 MolecularWeight: 496.56032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=C(C=NN4C(=C3)NC(=O)C5=CN=CC=C5)C6CC6

Isomeric SMILES

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=C(C=NN4C(=C3)NC(=O)C5=CN=CC=C5)C6CC6

InChI

InChI=1S/C28H28N6O3/c35-27(21-8-4-12-29-15-21)32-25-14-24(31-26-23(20-10-11-20)16-30-34(25)26)22-9-5-13-33(17-22)28(36)37-18-19-6-2-1-3-7-19/h1-4,6-8,12,14-16,20,22H,5,9-11,13,17-18H2,(H,32,35)