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-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-2,3-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-(6-fluoro-2,3-dihydro-1,4-benzoxathiin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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-methylsulfanylphenyl)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

C144H159F7N42O14S2 — CID 165069071

IUPAC3-(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-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-2,3-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-(6-fluoro-2,3-dihydro-1,4-benzoxathiin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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-methylsulfanylphenyl)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
SMILESCCCc1cc(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(SC)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)cc2c1OCC2.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2c1OCCC2.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2c1OCCS2.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2ccoc12
InChIInChI=1S/C22H27FN6O2.C21H23FN6O2.C21H25FN6O2.C20H21FN6O2S.C20H23FN6O2S.C20H21FN6O2.C20H19FN6O2/c1-6-7-14-10-15(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;1-12(15-10-14(22)9-13-5-4-8-29-18(13)15)24-17-6-7-28-20(25-17)16(11-23-28)19-26-21(2,3)30-27-19;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;1-11(13-8-12(21)9-15-17(13)28-6-7-30-15)23-16-4-5-27-19(24-16)14(10-22-27)18-25-20(2,3)29-26-18;1-11(13-8-12(21)9-15(30-5)17(13)28-4)23-16-6-7-27-19(24-16)14(10-22-27)18-25-20(2,3)29-26-18;2*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/h8-13H,6-7H2,1-5H3,(H,25,26)(H,27,28);6-7,9-12H,4-5,8H2,1-3H3,(H,24,25)(H,26,27);7-12H,6H2,1-5H3,(H,24,25)(H,26,27);4-5,8-11H,6-7H2,1-3H3,(H,23,24)(H,25,26);6-11H,1-5H3,(H,23,24)(H,25,26);4,6,8-11H,5,7H2,1-3H3,(H,23,24)(H,25,26);4-11H,1-3H3,(H,23,24)(H,25,26)/t13-;2*12-;4*11-/m1111111/s1
InChIKeySLKWMWDHKDDKLZ-PSRUCEGYSA-N
MW2899.26 g/mol
LogP25.17
Rot. Bonds35

About 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-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-2,3-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-(6-fluoro-2,3-dihydro-1,4-benzoxathiin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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-methylsulfanylphenyl)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-(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-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-2,3-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-(6-fluoro-2,3-dihydro-1,4-benzoxathiin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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-methylsulfanylphenyl)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 (PubChem CID 165069071) has the molecular formula C144H159F7N42O14S2 and a molecular weight of 2899.26 g/mol. Its IUPAC name is 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-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-2,3-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-(6-fluoro-2,3-dihydro-1,4-benzoxathiin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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-methylsulfanylphenyl)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.

Molecular Properties

Compound Name3-(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-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-2,3-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-(6-fluoro-2,3-dihydro-1,4-benzoxathiin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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-methylsulfanylphenyl)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
PubChem CID165069071
Molecular FormulaC144H159F7N42O14S2
Molecular Weight2899.26 g/mol
Exact Mass2897.24
IUPAC Name3-(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-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-2,3-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-(6-fluoro-2,3-dihydro-1,4-benzoxathiin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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-methylsulfanylphenyl)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
SMILESCCCc1cc(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(SC)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)cc2c1OCC2.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2c1OCCC2.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2c1OCCS2.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2ccoc12
InChIInChI=1S/C22H27FN6O2.C21H23FN6O2.C21H25FN6O2.C20H21FN6O2S.C20H23FN6O2S.C20H21FN6O2.C20H19FN6O2/c1-6-7-14-10-15(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;1-12(15-10-14(22)9-13-5-4-8-29-18(13)15)24-17-6-7-28-20(25-17)16(11-23-28)19-26-21(2,3)30-27-19;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;1-11(13-8-12(21)9-15-17(13)28-6-7-30-15)23-16-4-5-27-19(24-16)14(10-22-27)18-25-20(2,3)29-26-18;1-11(13-8-12(21)9-15(30-5)17(13)28-4)23-16-6-7-27-19(24-16)14(10-22-27)18-25-20(2,3)29-26-18;2*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/h8-13H,6-7H2,1-5H3,(H,25,26)(H,27,28);6-7,9-12H,4-5,8H2,1-3H3,(H,24,25)(H,26,27);7-12H,6H2,1-5H3,(H,24,25)(H,26,27);4-5,8-11H,6-7H2,1-3H3,(H,23,24)(H,25,26);6-11H,1-5H3,(H,23,24)(H,25,26);4,6,8-11H,5,7H2,1-3H3,(H,23,24)(H,25,26);4-11H,1-3H3,(H,23,24)(H,25,26)/t13-;2*12-;4*11-/m1111111/s1
InChIKeySLKWMWDHKDDKLZ-PSRUCEGYSA-N
XLogP25.17
TPSA599.40 Ų
H-Bond Donors14
H-Bond Acceptors58
Rotatable Bonds35
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002899.26
LogP ≤ 525.17
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1058

Analyze 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-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-2,3-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-(6-fluoro-2,3-dihydro-1,4-benzoxathiin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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-methylsulfanylphenyl)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 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-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-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-2,3-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-(6-fluoro-2,3-dihydro-1,4-benzoxathiin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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-methylsulfanylphenyl)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?
The IUPAC name of 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-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-2,3-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-(6-fluoro-2,3-dihydro-1,4-benzoxathiin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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-methylsulfanylphenyl)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 (CID 165069071) is 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-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-2,3-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-(6-fluoro-2,3-dihydro-1,4-benzoxathiin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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-methylsulfanylphenyl)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.
What is the SMILES notation for 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-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-2,3-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-(6-fluoro-2,3-dihydro-1,4-benzoxathiin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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-methylsulfanylphenyl)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?
The canonical SMILES for 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-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-2,3-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-(6-fluoro-2,3-dihydro-1,4-benzoxathiin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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-methylsulfanylphenyl)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 is CCCc1cc(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(SC)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)cc2c1OCC2.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2c1OCCC2.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2c1OCCS2.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2ccoc12.
What is the InChIKey of 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-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-2,3-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-(6-fluoro-2,3-dihydro-1,4-benzoxathiin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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-methylsulfanylphenyl)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?
The InChIKey is SLKWMWDHKDDKLZ-PSRUCEGYSA-N. The full InChI is InChI=1S/C22H27FN6O2.C21H23FN6O2.C21H25FN6O2.C20H21FN6O2S.C20H23FN6O2S.C20H21FN6O2.C20H19FN6O2/c1-6-7-14-10-15(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;1-12(15-10-14(22)9-13-5-4-8-29-18(13)15)24-17-6-7-28-20(25-17)16(11-23-28)19-26-21(2,3)30-27-19;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;1-11(13-8-12(21)9-15-17(13)28-6-7-30-15)23-16-4-5-27-19(24-16)14(10-22-27)18-25-20(2,3)29-26-18;1-11(13-8-12(21)9-15(30-5)17(13)28-4)23-16-6-7-27-19(24-16)14(10-22-27)18-25-20(2,3)29-26-18;2*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/h8-13H,6-7H2,1-5H3,(H,25,26)(H,27,28);6-7,9-12H,4-5,8H2,1-3H3,(H,24,25)(H,26,27);7-12H,6H2,1-5H3,(H,24,25)(H,26,27);4-5,8-11H,6-7H2,1-3H3,(H,23,24)(H,25,26);6-11H,1-5H3,(H,23,24)(H,25,26);4,6,8-11H,5,7H2,1-3H3,(H,23,24)(H,25,26);4-11H,1-3H3,(H,23,24)(H,25,26)/t13-;2*12-;4*11-/m1111111/s1.
What are the key properties of 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-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-2,3-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-(6-fluoro-2,3-dihydro-1,4-benzoxathiin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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-methylsulfanylphenyl)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-(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-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-2,3-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-(6-fluoro-2,3-dihydro-1,4-benzoxathiin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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-methylsulfanylphenyl)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 has a molecular weight of 2899.26 g/mol, XLogP of 25.17, 35 rotatable bonds, 14 hydrogen bond donors, and 58 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-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-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-2,3-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-(6-fluoro-2,3-dihydro-1,4-benzoxathiin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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-methylsulfanylphenyl)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 is sourced from PubChem (CID 165069071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).