7-[bis(fluoranyl)methyl]-5-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: 7-[bis(fluoranyl)methyl]-5-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C22H26F2N5O3+ MolecularWeight: 446.470346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C22H25F2N5O3/c1-31-16-5-3-15(4-6-16)18-13-19(20(23)24)29-21(27-18)17(14-26-29)22(30)25-7-2-8-28-9-11-32-12-10-28/h3-6,13-14,20H,2,7-12H2,1H3,(H,25,30)/p+1