3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-ethoxy-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-(3-ethyl-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-2,3-dihydro-1-benzofuran-7-yl)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-dimethyl-3H-1-benzofuran-7-yl)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-methoxy-3-propylphenyl)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-methoxy-3-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

C126H143F9N36O14 — CID 165074162

IUPAC3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-ethoxy-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-(3-ethyl-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-2,3-dihydro-1-benzofuran-7-yl)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-dimethyl-3H-1-benzofuran-7-yl)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-methoxy-3-propylphenyl)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-methoxy-3-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCCc1cc(F)cc([C@@H](C)Nc2ccn3ncc(C4=NC(C)(C)ON4)c3n2)c1OC.CCOc1cc(F)cc([C@@H](C)Nc2ccn3ncc(C4=NC(C)(C)ON4)c3n2)c1OC.CCc1cc(F)cc([C@@H](C)Nc2ccn3ncc(C4=NC(C)(C)ON4)c3n2)c1OC.COc1c(OC(F)(F)F)cc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2c1OC(C)(C)C2.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2c1OCC2
InChIInChI=1S/C22H25FN6O2.C22H27FN6O2.C21H25FN6O3.C21H25FN6O2.C20H20F4N6O3.C20H21FN6O2/c1-12(15-9-14(23)8-13-10-21(2,3)30-18(13)15)25-17-6-7-29-20(26-17)16(11-24-29)19-27-22(4,5)31-28-19;1-6-7-14-10-15(23)11-16(19(14)30-5)13(2)25-18-8-9-29-21(26-18)17(12-24-29)20-27-22(3,4)31-28-20;1-6-30-16-10-13(22)9-14(18(16)29-5)12(2)24-17-7-8-28-20(25-17)15(11-23-28)19-26-21(3,4)31-27-19;1-6-13-9-14(22)10-15(18(13)29-5)12(2)24-17-7-8-28-20(25-17)16(11-23-28)19-26-21(3,4)30-27-19;1-10(12-7-11(21)8-14(16(12)31-4)32-20(22,23)24)26-15-5-6-30-18(27-15)13(9-25-30)17-28-19(2,3)33-29-17;1-11(14-9-13(21)8-12-5-7-28-17(12)14)23-16-4-6-27-19(24-16)15(10-22-27)18-25-20(2,3)29-26-18/h6-9,11-12H,10H2,1-5H3,(H,25,26)(H,27,28);8-13H,6-7H2,1-5H3,(H,25,26)(H,27,28);7-12H,6H2,1-5H3,(H,24,25)(H,26,27);7-12H,6H2,1-5H3,(H,24,25)(H,26,27);5-10H,1-4H3,(H,26,27)(H,28,29);4,6,8-11H,5,7H2,1-3H3,(H,23,24)(H,25,26)/t12-;13-;2*12-;10-;11-/m111111/s1
InChIKeyUAHVEXYLLMXALE-MPPNJXKNSA-N
MW2556.75 g/mol
LogP21.85
Rot. Bonds34

About 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-ethoxy-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-(3-ethyl-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-2,3-dihydro-1-benzofuran-7-yl)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-dimethyl-3H-1-benzofuran-7-yl)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-methoxy-3-propylphenyl)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-methoxy-3-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-ethoxy-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-(3-ethyl-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-2,3-dihydro-1-benzofuran-7-yl)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-dimethyl-3H-1-benzofuran-7-yl)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-methoxy-3-propylphenyl)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-methoxy-3-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 165074162) has the molecular formula C126H143F9N36O14 and a molecular weight of 2556.75 g/mol. Its IUPAC name is 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-ethoxy-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-(3-ethyl-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-2,3-dihydro-1-benzofuran-7-yl)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-dimethyl-3H-1-benzofuran-7-yl)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-methoxy-3-propylphenyl)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-methoxy-3-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-ethoxy-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-(3-ethyl-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-2,3-dihydro-1-benzofuran-7-yl)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-dimethyl-3H-1-benzofuran-7-yl)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-methoxy-3-propylphenyl)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-methoxy-3-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID165074162
Molecular FormulaC126H143F9N36O14
Molecular Weight2556.75 g/mol
Exact Mass2555.14
IUPAC Name3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-ethoxy-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-(3-ethyl-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-2,3-dihydro-1-benzofuran-7-yl)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-dimethyl-3H-1-benzofuran-7-yl)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-methoxy-3-propylphenyl)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-methoxy-3-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCCc1cc(F)cc([C@@H](C)Nc2ccn3ncc(C4=NC(C)(C)ON4)c3n2)c1OC.CCOc1cc(F)cc([C@@H](C)Nc2ccn3ncc(C4=NC(C)(C)ON4)c3n2)c1OC.CCc1cc(F)cc([C@@H](C)Nc2ccn3ncc(C4=NC(C)(C)ON4)c3n2)c1OC.COc1c(OC(F)(F)F)cc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2c1OC(C)(C)C2.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2c1OCC2
InChIInChI=1S/C22H25FN6O2.C22H27FN6O2.C21H25FN6O3.C21H25FN6O2.C20H20F4N6O3.C20H21FN6O2/c1-12(15-9-14(23)8-13-10-21(2,3)30-18(13)15)25-17-6-7-29-20(26-17)16(11-24-29)19-27-22(4,5)31-28-19;1-6-7-14-10-15(23)11-16(19(14)30-5)13(2)25-18-8-9-29-21(26-18)17(12-24-29)20-27-22(3,4)31-28-20;1-6-30-16-10-13(22)9-14(18(16)29-5)12(2)24-17-7-8-28-20(25-17)15(11-23-28)19-26-21(3,4)31-27-19;1-6-13-9-14(22)10-15(18(13)29-5)12(2)24-17-7-8-28-20(25-17)16(11-23-28)19-26-21(3,4)30-27-19;1-10(12-7-11(21)8-14(16(12)31-4)32-20(22,23)24)26-15-5-6-30-18(27-15)13(9-25-30)17-28-19(2,3)33-29-17;1-11(14-9-13(21)8-12-5-7-28-17(12)14)23-16-4-6-27-19(24-16)15(10-22-27)18-25-20(2,3)29-26-18/h6-9,11-12H,10H2,1-5H3,(H,25,26)(H,27,28);8-13H,6-7H2,1-5H3,(H,25,26)(H,27,28);7-12H,6H2,1-5H3,(H,24,25)(H,26,27);7-12H,6H2,1-5H3,(H,24,25)(H,26,27);5-10H,1-4H3,(H,26,27)(H,28,29);4,6,8-11H,5,7H2,1-3H3,(H,23,24)(H,25,26)/t12-;13-;2*12-;10-;11-/m111111/s1
InChIKeyUAHVEXYLLMXALE-MPPNJXKNSA-N
XLogP21.85
TPSA528.88 Ų
H-Bond Donors12
H-Bond Acceptors50
Rotatable Bonds34
Heavy Atoms185
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002556.75
LogP ≤ 521.85
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1050

Analyze 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-ethoxy-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-(3-ethyl-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-2,3-dihydro-1-benzofuran-7-yl)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-dimethyl-3H-1-benzofuran-7-yl)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-methoxy-3-propylphenyl)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-methoxy-3-(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-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-ethoxy-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-(3-ethyl-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-2,3-dihydro-1-benzofuran-7-yl)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-dimethyl-3H-1-benzofuran-7-yl)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-methoxy-3-propylphenyl)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-methoxy-3-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-ethoxy-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-(3-ethyl-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-2,3-dihydro-1-benzofuran-7-yl)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-dimethyl-3H-1-benzofuran-7-yl)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-methoxy-3-propylphenyl)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-methoxy-3-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 165074162) is 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-ethoxy-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-(3-ethyl-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-2,3-dihydro-1-benzofuran-7-yl)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-dimethyl-3H-1-benzofuran-7-yl)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-methoxy-3-propylphenyl)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-methoxy-3-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-ethoxy-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-(3-ethyl-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-2,3-dihydro-1-benzofuran-7-yl)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-dimethyl-3H-1-benzofuran-7-yl)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-methoxy-3-propylphenyl)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-methoxy-3-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-ethoxy-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-(3-ethyl-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-2,3-dihydro-1-benzofuran-7-yl)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-dimethyl-3H-1-benzofuran-7-yl)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-methoxy-3-propylphenyl)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-methoxy-3-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is CCCc1cc(F)cc([C@@H](C)Nc2ccn3ncc(C4=NC(C)(C)ON4)c3n2)c1OC.CCOc1cc(F)cc([C@@H](C)Nc2ccn3ncc(C4=NC(C)(C)ON4)c3n2)c1OC.CCc1cc(F)cc([C@@H](C)Nc2ccn3ncc(C4=NC(C)(C)ON4)c3n2)c1OC.COc1c(OC(F)(F)F)cc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2c1OC(C)(C)C2.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2c1OCC2.
What is the InChIKey of 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-ethoxy-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-(3-ethyl-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-2,3-dihydro-1-benzofuran-7-yl)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-dimethyl-3H-1-benzofuran-7-yl)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-methoxy-3-propylphenyl)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-methoxy-3-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is UAHVEXYLLMXALE-MPPNJXKNSA-N. The full InChI is InChI=1S/C22H25FN6O2.C22H27FN6O2.C21H25FN6O3.C21H25FN6O2.C20H20F4N6O3.C20H21FN6O2/c1-12(15-9-14(23)8-13-10-21(2,3)30-18(13)15)25-17-6-7-29-20(26-17)16(11-24-29)19-27-22(4,5)31-28-19;1-6-7-14-10-15(23)11-16(19(14)30-5)13(2)25-18-8-9-29-21(26-18)17(12-24-29)20-27-22(3,4)31-28-20;1-6-30-16-10-13(22)9-14(18(16)29-5)12(2)24-17-7-8-28-20(25-17)15(11-23-28)19-26-21(3,4)31-27-19;1-6-13-9-14(22)10-15(18(13)29-5)12(2)24-17-7-8-28-20(25-17)16(11-23-28)19-26-21(3,4)30-27-19;1-10(12-7-11(21)8-14(16(12)31-4)32-20(22,23)24)26-15-5-6-30-18(27-15)13(9-25-30)17-28-19(2,3)33-29-17;1-11(14-9-13(21)8-12-5-7-28-17(12)14)23-16-4-6-27-19(24-16)15(10-22-27)18-25-20(2,3)29-26-18/h6-9,11-12H,10H2,1-5H3,(H,25,26)(H,27,28);8-13H,6-7H2,1-5H3,(H,25,26)(H,27,28);7-12H,6H2,1-5H3,(H,24,25)(H,26,27);7-12H,6H2,1-5H3,(H,24,25)(H,26,27);5-10H,1-4H3,(H,26,27)(H,28,29);4,6,8-11H,5,7H2,1-3H3,(H,23,24)(H,25,26)/t12-;13-;2*12-;10-;11-/m111111/s1.
What are the key properties of 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-ethoxy-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-(3-ethyl-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-2,3-dihydro-1-benzofuran-7-yl)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-dimethyl-3H-1-benzofuran-7-yl)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-methoxy-3-propylphenyl)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-methoxy-3-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-ethoxy-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-(3-ethyl-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-2,3-dihydro-1-benzofuran-7-yl)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-dimethyl-3H-1-benzofuran-7-yl)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-methoxy-3-propylphenyl)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-methoxy-3-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 2556.75 g/mol, XLogP of 21.85, 34 rotatable bonds, 12 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-ethoxy-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-(3-ethyl-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-2,3-dihydro-1-benzofuran-7-yl)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-dimethyl-3H-1-benzofuran-7-yl)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-methoxy-3-propylphenyl)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-methoxy-3-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 165074162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).