N-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2,5-diamine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methyl-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-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoroquinolin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

C138H139F19N44O12 — CID 165086050

IUPACN-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2,5-diamine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methyl-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-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoroquinolin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC1Cc2cc(F)cc([C@@H](C)Nc3ccn4ncc(C5=NC(C)(C)ON5)c4n3)c2O1.COc1ccc(F)cc1[C@@H](C)Nc1ccn2nc(N)c(C3=NC(C)(C)ON3)c2n1.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2cccnc12.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1C(F)F.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1OC(F)(F)C(F)(F)F.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1OC(F)F.C[C@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1OC(F)(F)F
InChIInChI=1S/C21H20FN7O.C21H23FN6O2.C20H18F6N6O2.C19H18F4N6O2.C19H19F3N6O2.C19H19F3N6O.C19H22FN7O2/c1-12(15-10-14(22)9-13-5-4-7-23-18(13)15)25-17-6-8-29-20(26-17)16(11-24-29)19-27-21(2,3)30-28-19;1-11-7-13-8-14(22)9-15(18(13)29-11)12(2)24-17-5-6-28-20(25-17)16(10-23-28)19-26-21(3,4)30-27-19;1-10(12-8-11(21)4-5-14(12)33-20(25,26)19(22,23)24)28-15-6-7-32-17(29-15)13(9-27-32)16-30-18(2,3)34-31-16;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)29-18(21)22)24-15-6-7-28-17(25-15)13(9-23-28)16-26-19(2,3)30-27-16;1-10(13-8-11(20)4-5-12(13)16(21)22)24-15-6-7-28-18(25-15)14(9-23-28)17-26-19(2,3)29-27-17;1-10(12-9-11(20)5-6-13(12)28-4)22-14-7-8-27-18(23-14)15(16(21)25-27)17-24-19(2,3)29-26-17/h4-12H,1-3H3,(H,25,26)(H,27,28);5-6,8-12H,7H2,1-4H3,(H,24,25)(H,26,27);4-10H,1-3H3,(H,28,29)(H,30,31);4-10H,1-3H3,(H,25,26)(H,27,28);4-10,18H,1-3H3,(H,24,25)(H,26,27);4-10,16H,1-3H3,(H,24,25)(H,26,27);5-10H,1-4H3,(H2,21,25)(H,22,23)(H,24,26)/t12-;11?,12-;5*10-/m1110111/s1
InChIKeyVXRGGQOALPKEDK-RAUSOUBVSA-N
MW2966.89 g/mol
LogP25.85
Rot. Bonds35

About N-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2,5-diamine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methyl-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-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoroquinolin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

N-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2,5-diamine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methyl-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-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoroquinolin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 165086050) has the molecular formula C138H139F19N44O12 and a molecular weight of 2966.89 g/mol. Its IUPAC name is N-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2,5-diamine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methyl-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-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoroquinolin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2,5-diamine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methyl-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-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoroquinolin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID165086050
Molecular FormulaC138H139F19N44O12
Molecular Weight2966.89 g/mol
Exact Mass2965.13
IUPAC NameN-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2,5-diamine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methyl-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-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoroquinolin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC1Cc2cc(F)cc([C@@H](C)Nc3ccn4ncc(C5=NC(C)(C)ON5)c4n3)c2O1.COc1ccc(F)cc1[C@@H](C)Nc1ccn2nc(N)c(C3=NC(C)(C)ON3)c2n1.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2cccnc12.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1C(F)F.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1OC(F)(F)C(F)(F)F.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1OC(F)F.C[C@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1OC(F)(F)F
InChIInChI=1S/C21H20FN7O.C21H23FN6O2.C20H18F6N6O2.C19H18F4N6O2.C19H19F3N6O2.C19H19F3N6O.C19H22FN7O2/c1-12(15-10-14(22)9-13-5-4-7-23-18(13)15)25-17-6-8-29-20(26-17)16(11-24-29)19-27-21(2,3)30-28-19;1-11-7-13-8-14(22)9-15(18(13)29-11)12(2)24-17-5-6-28-20(25-17)16(10-23-28)19-26-21(3,4)30-27-19;1-10(12-8-11(21)4-5-14(12)33-20(25,26)19(22,23)24)28-15-6-7-32-17(29-15)13(9-27-32)16-30-18(2,3)34-31-16;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)29-18(21)22)24-15-6-7-28-17(25-15)13(9-23-28)16-26-19(2,3)30-27-16;1-10(13-8-11(20)4-5-12(13)16(21)22)24-15-6-7-28-18(25-15)14(9-23-28)17-26-19(2,3)29-27-17;1-10(12-9-11(20)5-6-13(12)28-4)22-14-7-8-27-18(23-14)15(16(21)25-27)17-24-19(2,3)29-26-17/h4-12H,1-3H3,(H,25,26)(H,27,28);5-6,8-12H,7H2,1-4H3,(H,24,25)(H,26,27);4-10H,1-3H3,(H,28,29)(H,30,31);4-10H,1-3H3,(H,25,26)(H,27,28);4-10,18H,1-3H3,(H,24,25)(H,26,27);4-10,16H,1-3H3,(H,24,25)(H,26,27);5-10H,1-4H3,(H2,21,25)(H,22,23)(H,24,26)/t12-;11?,12-;5*10-/m1110111/s1
InChIKeyVXRGGQOALPKEDK-RAUSOUBVSA-N
XLogP25.85
TPSA615.94 Ų
H-Bond Donors15
H-Bond Acceptors56
Rotatable Bonds35
Heavy Atoms213
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002966.89
LogP ≤ 525.85
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2,5-diamine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methyl-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-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoroquinolin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1S)-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 N-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2,5-diamine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methyl-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-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoroquinolin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2,5-diamine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methyl-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-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoroquinolin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 165086050) is N-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2,5-diamine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methyl-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-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoroquinolin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2,5-diamine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methyl-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-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoroquinolin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2,5-diamine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methyl-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-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoroquinolin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is CC1Cc2cc(F)cc([C@@H](C)Nc3ccn4ncc(C5=NC(C)(C)ON5)c4n3)c2O1.COc1ccc(F)cc1[C@@H](C)Nc1ccn2nc(N)c(C3=NC(C)(C)ON3)c2n1.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2cccnc12.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1C(F)F.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1OC(F)(F)C(F)(F)F.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1OC(F)F.C[C@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1OC(F)(F)F.
What is the InChIKey of N-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2,5-diamine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methyl-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-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoroquinolin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is VXRGGQOALPKEDK-RAUSOUBVSA-N. The full InChI is InChI=1S/C21H20FN7O.C21H23FN6O2.C20H18F6N6O2.C19H18F4N6O2.C19H19F3N6O2.C19H19F3N6O.C19H22FN7O2/c1-12(15-10-14(22)9-13-5-4-7-23-18(13)15)25-17-6-8-29-20(26-17)16(11-24-29)19-27-21(2,3)30-28-19;1-11-7-13-8-14(22)9-15(18(13)29-11)12(2)24-17-5-6-28-20(25-17)16(10-23-28)19-26-21(3,4)30-27-19;1-10(12-8-11(21)4-5-14(12)33-20(25,26)19(22,23)24)28-15-6-7-32-17(29-15)13(9-27-32)16-30-18(2,3)34-31-16;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)29-18(21)22)24-15-6-7-28-17(25-15)13(9-23-28)16-26-19(2,3)30-27-16;1-10(13-8-11(20)4-5-12(13)16(21)22)24-15-6-7-28-18(25-15)14(9-23-28)17-26-19(2,3)29-27-17;1-10(12-9-11(20)5-6-13(12)28-4)22-14-7-8-27-18(23-14)15(16(21)25-27)17-24-19(2,3)29-26-17/h4-12H,1-3H3,(H,25,26)(H,27,28);5-6,8-12H,7H2,1-4H3,(H,24,25)(H,26,27);4-10H,1-3H3,(H,28,29)(H,30,31);4-10H,1-3H3,(H,25,26)(H,27,28);4-10,18H,1-3H3,(H,24,25)(H,26,27);4-10,16H,1-3H3,(H,24,25)(H,26,27);5-10H,1-4H3,(H2,21,25)(H,22,23)(H,24,26)/t12-;11?,12-;5*10-/m1110111/s1.
What are the key properties of N-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2,5-diamine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methyl-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-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoroquinolin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2,5-diamine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methyl-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-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoroquinolin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 2966.89 g/mol, XLogP of 25.85, 35 rotatable bonds, 15 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2,5-diamine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methyl-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-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(6-fluoroquinolin-8-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 165086050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).