1-[4-[4-(2-azanylpyrimidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-ethanone

Systemtic Name: 1-[4-[4-(2-azanylpyrimidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-ethanone Openeye Name: 1-[4-[4-(2-aminopyrimidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-piperidyl]-2-hydroxy-ethanone CAS Name: 1-[4-[4-(2-amino-4-pyrimidinyl)-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-hydroxyethanone IUPAC Name: 1-[4-[4-(2-aminopyrimidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone Traditional Name: 1-[4-[4-(2-aminopyrimidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidino]-2-hydroxy-ethanone Formula: C20H21ClN6O2 MolecularWeight: 412.87274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC(=NC=C4)N)C(=O)CO

Isomeric SMILES

C1CN(CCC1C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC(=NC=C4)N)C(=O)CO

InChI

InChI=1S/C20H21ClN6O2/c21-14-3-1-12(2-4-14)18-17(15-5-8-23-20(22)24-15)19(26-25-18)13-6-9-27(10-7-13)16(29)11-28/h1-5,8,13,28H,6-7,9-11H2,(H,25,26)(H2,22,23,24)