methyl (2S)-1-[1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazol-4-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazol-4-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-(2-thienyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[1-[4-(4-fluorophenyl)-5-methyl-2-pyrimidinyl]-5-thiophen-2-yl-4-pyrazolyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-thiophen-2-ylpyrazole-4-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-(2-thienyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C25H22FN5O3S MolecularWeight: 491.537283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=C(C=C2)F)N3C(=C(C=N3)C(=O)N4CCCC4C(=O)OC)C5=CC=CS5

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=C(C=C2)F)N3C(=C(C=N3)C(=O)N4CCC[C@H]4C(=O)OC)C5=CC=CS5

InChI

InChI=1S/C25H22FN5O3S/c1-15-13-27-25(29-21(15)16-7-9-17(26)10-8-16)31-22(20-6-4-12-35-20)18(14-28-31)23(32)30-11-3-5-19(30)24(33)34-2/h4,6-10,12-14,19H,3,5,11H2,1-2H3/t19-/m0/s1