(phenylmethyl) 4-[3-cyclopropyl-7-(pyridin-3-ylcarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-cyclopropyl-7-(pyridin-3-ylcarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate CAS Name: 4-[3-cyclopropyl-7-[[oxo(3-pyridinyl)methyl]amino]-5-pyrazolo[1,5-a]pyrimidinyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate Traditional Name: 4-(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:

C1CC1C2=C3N=C(C=C(N3N=C2)NC(=O)C4=CN=CC=C4)C5CCN(CC5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CC1C2=C3N=C(C=C(N3N=C2)NC(=O)C4=CN=CC=C4)C5CCN(CC5)C(=O)OCC6=CC=CC=C6

InChI

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