3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-propan-2-yloxy-3-pyridinyl)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-(trideuteriomethoxy)phenyl]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-(2,2,2-trifluoroethoxy)phenyl]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)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

C135H143F16N43O13 — CID 164948227

IUPAC3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-propan-2-yloxy-3-pyridinyl)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-(trideuteriomethoxy)phenyl]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-(2,2,2-trifluoroethoxy)phenyl]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)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(C)Oc1ncc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1OC(F)(F)F.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1OCC(F)(F)F.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])N=C(c2cnn3ccc(N[C@H](C)c4cc(F)ccc4C(F)(F)F)nc23)NO1.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])N=C(c2cnn3ccc(N[C@H](C)c4cc(F)ccc4OC)nc23)NO1.[2H]C([2H])([2H])Oc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])ON3)c2n1.[2H]C([2H])([2H])Oc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1
InChIInChI=1S/C20H20F4N6O2.C20H24FN7O2.C19H18F4N6O2.C19H18F4N6O.3C19H21FN6O2/c1-11(13-8-12(21)4-5-15(13)31-10-20(22,23)24)26-16-6-7-30-18(27-16)14(9-25-30)17-28-19(2,3)32-29-17;1-11(2)29-19-14(8-13(21)9-22-19)12(3)24-16-6-7-28-18(25-16)15(10-23-28)17-26-20(4,5)30-27-17;1-10(12-8-11(20)4-5-14(12)30-19(21,22)23)25-15-6-7-29-17(26-15)13(9-24-29)16-27-18(2,3)31-28-16;1-10(12-8-11(20)4-5-14(12)19(21,22)23)25-15-6-7-29-17(26-15)13(9-24-29)16-27-18(2,3)30-28-16;3*1-11(13-9-12(20)5-6-15(13)27-4)22-16-7-8-26-18(23-16)14(10-21-26)17-24-19(2,3)28-25-17/h4-9,11H,10H2,1-3H3,(H,26,27)(H,28,29);6-12H,1-5H3,(H,24,25)(H,26,27);4-10H,1-3H3,(H,25,26)(H,27,28);4-10H,1-3H3,(H,25,26)(H,27,28);3*5-11H,1-4H3,(H,22,23)(H,24,25)/t11-;12-;2*10-;3*11-/m1111111/s1/i;;;2D3,3D3;2D3,3D3,4D3;2D3,3D3;4D3
InChIKeyAEDKHMSAZDOLME-BDXGRADFSA-N
MW2904.03 g/mol
LogP24.48
Rot. Bonds44

About 3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-propan-2-yloxy-3-pyridinyl)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-(trideuteriomethoxy)phenyl]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-(2,2,2-trifluoroethoxy)phenyl]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)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-propan-2-yloxy-3-pyridinyl)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-(trideuteriomethoxy)phenyl]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-(2,2,2-trifluoroethoxy)phenyl]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)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 164948227) has the molecular formula C135H143F16N43O13 and a molecular weight of 2904.03 g/mol. Its IUPAC name is 3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-propan-2-yloxy-3-pyridinyl)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-(trideuteriomethoxy)phenyl]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-(2,2,2-trifluoroethoxy)phenyl]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)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-propan-2-yloxy-3-pyridinyl)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-(trideuteriomethoxy)phenyl]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-(2,2,2-trifluoroethoxy)phenyl]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)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID164948227
Molecular FormulaC135H143F16N43O13
Molecular Weight2904.03 g/mol
Exact Mass2902.31
IUPAC Name3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-propan-2-yloxy-3-pyridinyl)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-(trideuteriomethoxy)phenyl]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-(2,2,2-trifluoroethoxy)phenyl]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)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(C)Oc1ncc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1OC(F)(F)F.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1OCC(F)(F)F.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])N=C(c2cnn3ccc(N[C@H](C)c4cc(F)ccc4C(F)(F)F)nc23)NO1.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])N=C(c2cnn3ccc(N[C@H](C)c4cc(F)ccc4OC)nc23)NO1.[2H]C([2H])([2H])Oc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])ON3)c2n1.[2H]C([2H])([2H])Oc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1
InChIInChI=1S/C20H20F4N6O2.C20H24FN7O2.C19H18F4N6O2.C19H18F4N6O.3C19H21FN6O2/c1-11(13-8-12(21)4-5-15(13)31-10-20(22,23)24)26-16-6-7-30-18(27-16)14(9-25-30)17-28-19(2,3)32-29-17;1-11(2)29-19-14(8-13(21)9-22-19)12(3)24-16-6-7-28-18(25-16)15(10-23-28)17-26-20(4,5)30-27-17;1-10(12-8-11(20)4-5-14(12)30-19(21,22)23)25-15-6-7-29-17(26-15)13(9-24-29)16-27-18(2,3)31-28-16;1-10(12-8-11(20)4-5-14(12)19(21,22)23)25-15-6-7-29-17(26-15)13(9-24-29)16-27-18(2,3)30-28-16;3*1-11(13-9-12(20)5-6-15(13)27-4)22-16-7-8-26-18(23-16)14(10-21-26)17-24-19(2,3)28-25-17/h4-9,11H,10H2,1-3H3,(H,26,27)(H,28,29);6-12H,1-5H3,(H,24,25)(H,26,27);4-10H,1-3H3,(H,25,26)(H,27,28);4-10H,1-3H3,(H,25,26)(H,27,28);3*5-11H,1-4H3,(H,22,23)(H,24,25)/t11-;12-;2*10-;3*11-/m1111111/s1/i;;;2D3,3D3;2D3,3D3,4D3;2D3,3D3;4D3
InChIKeyAEDKHMSAZDOLME-BDXGRADFSA-N
XLogP24.48
TPSA599.15 Ų
H-Bond Donors14
H-Bond Acceptors56
Rotatable Bonds44
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002904.03
LogP ≤ 524.48
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1056

Analyze 3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-propan-2-yloxy-3-pyridinyl)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-(trideuteriomethoxy)phenyl]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-(2,2,2-trifluoroethoxy)phenyl]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)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-propan-2-yloxy-3-pyridinyl)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-(trideuteriomethoxy)phenyl]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-(2,2,2-trifluoroethoxy)phenyl]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)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-propan-2-yloxy-3-pyridinyl)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-(trideuteriomethoxy)phenyl]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-(2,2,2-trifluoroethoxy)phenyl]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)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 164948227) is 3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-propan-2-yloxy-3-pyridinyl)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-(trideuteriomethoxy)phenyl]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-(2,2,2-trifluoroethoxy)phenyl]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)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-propan-2-yloxy-3-pyridinyl)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-(trideuteriomethoxy)phenyl]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-(2,2,2-trifluoroethoxy)phenyl]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)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-propan-2-yloxy-3-pyridinyl)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-(trideuteriomethoxy)phenyl]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-(2,2,2-trifluoroethoxy)phenyl]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)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is CC(C)Oc1ncc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1OC(F)(F)F.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1OCC(F)(F)F.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])N=C(c2cnn3ccc(N[C@H](C)c4cc(F)ccc4C(F)(F)F)nc23)NO1.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])N=C(c2cnn3ccc(N[C@H](C)c4cc(F)ccc4OC)nc23)NO1.[2H]C([2H])([2H])Oc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])ON3)c2n1.[2H]C([2H])([2H])Oc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.
What is the InChIKey of 3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-propan-2-yloxy-3-pyridinyl)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-(trideuteriomethoxy)phenyl]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-(2,2,2-trifluoroethoxy)phenyl]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)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is AEDKHMSAZDOLME-BDXGRADFSA-N. The full InChI is InChI=1S/C20H20F4N6O2.C20H24FN7O2.C19H18F4N6O2.C19H18F4N6O.3C19H21FN6O2/c1-11(13-8-12(21)4-5-15(13)31-10-20(22,23)24)26-16-6-7-30-18(27-16)14(9-25-30)17-28-19(2,3)32-29-17;1-11(2)29-19-14(8-13(21)9-22-19)12(3)24-16-6-7-28-18(25-16)15(10-23-28)17-26-20(4,5)30-27-17;1-10(12-8-11(20)4-5-14(12)30-19(21,22)23)25-15-6-7-29-17(26-15)13(9-24-29)16-27-18(2,3)31-28-16;1-10(12-8-11(20)4-5-14(12)19(21,22)23)25-15-6-7-29-17(26-15)13(9-24-29)16-27-18(2,3)30-28-16;3*1-11(13-9-12(20)5-6-15(13)27-4)22-16-7-8-26-18(23-16)14(10-21-26)17-24-19(2,3)28-25-17/h4-9,11H,10H2,1-3H3,(H,26,27)(H,28,29);6-12H,1-5H3,(H,24,25)(H,26,27);4-10H,1-3H3,(H,25,26)(H,27,28);4-10H,1-3H3,(H,25,26)(H,27,28);3*5-11H,1-4H3,(H,22,23)(H,24,25)/t11-;12-;2*10-;3*11-/m1111111/s1/i;;;2D3,3D3;2D3,3D3,4D3;2D3,3D3;4D3.
What are the key properties of 3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-propan-2-yloxy-3-pyridinyl)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-(trideuteriomethoxy)phenyl]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-(2,2,2-trifluoroethoxy)phenyl]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)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-propan-2-yloxy-3-pyridinyl)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-(trideuteriomethoxy)phenyl]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-(2,2,2-trifluoroethoxy)phenyl]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)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 2904.03 g/mol, XLogP of 24.48, 44 rotatable bonds, 14 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-[5,5-bis(trideuteriomethyl)-2H-1,2,4-oxadiazol-3-yl]-N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-propan-2-yloxy-3-pyridinyl)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-(trideuteriomethoxy)phenyl]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-(2,2,2-trifluoroethoxy)phenyl]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)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 164948227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).