[5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-cyclopropyl-1-[4-(2-fluorophenyl)-2-pyrimidinyl]-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C22H24FN6O+ MolecularWeight: 407.463963

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CC=C4F)C5CC5

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CC=C4F)C5CC5

InChI

InChI=1S/C22H23FN6O/c1-27-10-12-28(13-11-27)21(30)17-14-25-29(20(17)15-6-7-15)22-24-9-8-19(26-22)16-4-2-3-5-18(16)23/h2-5,8-9,14-15H,6-7,10-13H2,1H3/p+1