methyl 1-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[3-bromo-7-(3-pyridylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-2-carboxylate CAS Name: 1-[3-bromo-7-(3-pyridinylmethylamino)-5-pyrazolo[1,5-a]pyrimidinyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-2-carboxylate Traditional Name: 1-[3-bromo-7-(3-pyridylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-2-carboxylic acid methyl ester Formula: C18H19BrN6O2 MolecularWeight: 431.28646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C2=NC3=C(C=NN3C(=C2)NCC4=CN=CC=C4)Br

Isomeric SMILES

COC(=O)C1CCCN1C2=NC3=C(C=NN3C(=C2)NCC4=CN=CC=C4)Br

InChI

InChI=1S/C18H19BrN6O2/c1-27-18(26)14-5-3-7-24(14)16-8-15(21-10-12-4-2-6-20-9-12)25-17(23-16)13(19)11-22-25/h2,4,6,8-9,11,14,21H,3,5,7,10H2,1H3