About 3-(5-tert-butyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[3,5-difluoro-2-(trideuteriomethoxy)phenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoropyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-[5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5-ethyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
3-(5-tert-butyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[3,5-difluoro-2-(trideuteriomethoxy)phenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoropyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-[5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5-ethyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 165049553) has the molecular formula C140H156F13N43O14
and a molecular weight of 2915.07 g/mol. Its IUPAC name is 3-(5-tert-butyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[3,5-difluoro-2-(trideuteriomethoxy)phenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoropyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-[5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5-ethyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine.
Frequently Asked Questions
What is the IUPAC name of 3-(5-tert-butyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[3,5-difluoro-2-(trideuteriomethoxy)phenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoropyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-[5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5-ethyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(5-tert-butyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[3,5-difluoro-2-(trideuteriomethoxy)phenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoropyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-[5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5-ethyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 165049553) is 3-(5-tert-butyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[3,5-difluoro-2-(trideuteriomethoxy)phenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoropyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-[5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5-ethyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(5-tert-butyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[3,5-difluoro-2-(trideuteriomethoxy)phenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoropyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-[5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5-ethyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(5-tert-butyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[3,5-difluoro-2-(trideuteriomethoxy)phenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoropyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-[5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5-ethyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine is CCC1(C)N=C(c2cnn3ccc(N[C@H](C)c4cc(F)ccc4OC)nc23)NO1.CCCC1(C)N=C(c2cnn3ccc(N[C@H](C)c4cc(F)ccc4OC)nc23)NO1.COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C(C)(C)C)ON3)c2n1.COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C(C)C)ON3)c2n1.COc1ccc(F)cc1[C@@H](C)Nc1nc2c(C3=NC(C)(C)ON3)cnn2cc1F.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cnc1OC(F)(F)F.[2H]C([2H])([2H])Oc1c(F)cc(F)cc1[C@@H](C)Nc1nc2c(C3=NC(C)(C)ON3)cnn2cc1F.
What is the InChIKey of 3-(5-tert-butyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[3,5-difluoro-2-(trideuteriomethoxy)phenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoropyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-[5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5-ethyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is PLEYWTZFULWVLR-HINPIXRLSA-N. The full InChI is InChI=1S/C22H27FN6O2.2C21H25FN6O2.C20H23FN6O2.C19H19F3N6O2.C19H20F2N6O2.C18H17F4N7O2/c1-13(15-11-14(23)7-8-17(15)30-6)25-18-9-10-29-20(26-18)16(12-24-29)19-27-22(5,31-28-19)21(2,3)4;1-12(2)21(4)26-19(27-30-21)16-11-23-28-9-8-18(25-20(16)28)24-13(3)15-10-14(22)6-7-17(15)29-5;1-5-9-21(3)26-19(27-30-21)16-12-23-28-10-8-18(25-20(16)28)24-13(2)15-11-14(22)6-7-17(15)29-4;1-5-20(3)25-18(26-29-20)15-11-22-27-9-8-17(24-19(15)27)23-12(2)14-10-13(21)6-7-16(14)28-4;1-9(11-5-10(20)6-13(21)15(11)29-4)24-17-14(22)8-28-18(25-17)12(7-23-28)16-26-19(2,3)30-27-16;1-10(12-7-11(20)5-6-15(12)28-4)23-17-14(21)9-27-18(24-17)13(8-22-27)16-25-19(2,3)29-26-16;1-9(11-6-10(19)7-23-16(11)30-18(20,21)22)25-13-4-5-29-15(26-13)12(8-24-29)14-27-17(2,3)31-28-14/h7-13H,1-6H3,(H,25,26)(H,27,28);6-13H,1-5H3,(H,24,25)(H,26,27);6-8,10-13H,5,9H2,1-4H3,(H,24,25)(H,26,27);6-12H,5H2,1-4H3,(H,23,24)(H,25,26);5-9H,1-4H3,(H,24,25)(H,26,27);5-10H,1-4H3,(H,23,24)(H,25,26);4-9H,1-3H3,(H,25,26)(H,27,28)/t13-,22?;2*13-,21?;12-,20?;9-;10-;9-/m1111111/s1/i;;;;4D3;;.
What are the key properties of 3-(5-tert-butyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[3,5-difluoro-2-(trideuteriomethoxy)phenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoropyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-[5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5-ethyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-(5-tert-butyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[3,5-difluoro-2-(trideuteriomethoxy)phenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoropyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-[5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5-ethyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 2915.07 g/mol, XLogP of 25.01, 40 rotatable bonds, 14 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[3,5-difluoro-2-(trideuteriomethoxy)phenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoropyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-[5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5-ethyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 165049553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).