N-[(1R)-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(3,6-difluoro-2-methoxyphenyl)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)-N-[(1R)-1-(5-fluoro-2-methoxy-3-methylphenyl)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-(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-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine

C118H124ClF15N36O11 — CID 165055036

IUPACN-[(1R)-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(3,6-difluoro-2-methoxyphenyl)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)-N-[(1R)-1-(5-fluoro-2-methoxy-3-methylphenyl)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-(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-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1c(C)cc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.COc1c(Cl)cc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.COc1c(F)ccc(F)c1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.COc1c([C@@H](C)Nc2ccn3ncc(C4=NC(C)(C)ON4)c3n2)cc(F)cc1C(F)(F)F.COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NOC(C)(C)N3C)c2n1.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1C(F)(F)C(F)(F)F
InChIInChI=1S/C20H18F6N6O.C20H20F4N6O2.2C20H23FN6O2.C19H20ClFN6O2.C19H20F2N6O2/c1-10(12-8-11(21)4-5-14(12)19(22,23)20(24,25)26)28-15-6-7-32-17(29-15)13(9-27-32)16-30-18(2,3)33-31-16;1-10(12-7-11(21)8-14(16(12)31-4)20(22,23)24)26-15-5-6-30-18(27-15)13(9-25-30)17-28-19(2,3)32-29-17;1-11-8-13(21)9-14(17(11)28-5)12(2)23-16-6-7-27-19(24-16)15(10-22-27)18-25-20(3,4)29-26-18;1-12(14-10-13(21)6-7-16(14)28-5)23-17-8-9-27-18(24-17)15(11-22-27)19-25-29-20(2,3)26(19)4;1-10(12-7-11(21)8-14(20)16(12)28-4)23-15-5-6-27-18(24-15)13(9-22-27)17-25-19(2,3)29-26-17;1-10(15-12(20)5-6-13(21)16(15)28-4)23-14-7-8-27-18(24-14)11(9-22-27)17-25-19(2,3)29-26-17/h4-10H,1-3H3,(H,28,29)(H,30,31);5-10H,1-4H3,(H,26,27)(H,28,29);6-10,12H,1-5H3,(H,23,24)(H,25,26);6-12H,1-5H3,(H,23,24);2*5-10H,1-4H3,(H,23,24)(H,25,26)/t2*10-;2*12-;2*10-/m111111/s1
InChIKeyQGVHSYIYAKFKDS-JHJGLKIMSA-N
MW2542.95 g/mol
LogP22.51
Rot. Bonds30

About N-[(1R)-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(3,6-difluoro-2-methoxyphenyl)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)-N-[(1R)-1-(5-fluoro-2-methoxy-3-methylphenyl)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-(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-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine

N-[(1R)-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(3,6-difluoro-2-methoxyphenyl)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)-N-[(1R)-1-(5-fluoro-2-methoxy-3-methylphenyl)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-(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-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 165055036) has the molecular formula C118H124ClF15N36O11 and a molecular weight of 2542.95 g/mol. Its IUPAC name is N-[(1R)-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(3,6-difluoro-2-methoxyphenyl)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)-N-[(1R)-1-(5-fluoro-2-methoxy-3-methylphenyl)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-(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-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(3,6-difluoro-2-methoxyphenyl)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)-N-[(1R)-1-(5-fluoro-2-methoxy-3-methylphenyl)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-(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-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID165055036
Molecular FormulaC118H124ClF15N36O11
Molecular Weight2542.95 g/mol
Exact Mass2540.97
IUPAC NameN-[(1R)-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(3,6-difluoro-2-methoxyphenyl)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)-N-[(1R)-1-(5-fluoro-2-methoxy-3-methylphenyl)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-(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-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1c(C)cc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.COc1c(Cl)cc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.COc1c(F)ccc(F)c1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.COc1c([C@@H](C)Nc2ccn3ncc(C4=NC(C)(C)ON4)c3n2)cc(F)cc1C(F)(F)F.COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NOC(C)(C)N3C)c2n1.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1C(F)(F)C(F)(F)F
InChIInChI=1S/C20H18F6N6O.C20H20F4N6O2.2C20H23FN6O2.C19H20ClFN6O2.C19H20F2N6O2/c1-10(12-8-11(21)4-5-14(12)19(22,23)20(24,25)26)28-15-6-7-32-17(29-15)13(9-27-32)16-30-18(2,3)33-31-16;1-10(12-7-11(21)8-14(16(12)31-4)20(22,23)24)26-15-5-6-30-18(27-15)13(9-25-30)17-28-19(2,3)32-29-17;1-11-8-13(21)9-14(17(11)28-5)12(2)23-16-6-7-27-19(24-16)15(10-22-27)18-25-20(3,4)29-26-18;1-12(14-10-13(21)6-7-16(14)28-5)23-17-8-9-27-18(24-17)15(11-22-27)19-25-29-20(2,3)26(19)4;1-10(12-7-11(21)8-14(20)16(12)28-4)23-15-5-6-27-18(24-15)13(9-22-27)17-25-19(2,3)29-26-17;1-10(15-12(20)5-6-13(21)16(15)28-4)23-14-7-8-27-18(24-14)11(9-22-27)17-25-19(2,3)29-26-17/h4-10H,1-3H3,(H,28,29)(H,30,31);5-10H,1-4H3,(H,26,27)(H,28,29);6-10,12H,1-5H3,(H,23,24)(H,25,26);6-12H,1-5H3,(H,23,24);2*5-10H,1-4H3,(H,23,24)(H,25,26)/t2*10-;2*12-;2*10-/m111111/s1
InChIKeyQGVHSYIYAKFKDS-JHJGLKIMSA-N
XLogP22.51
TPSA492.40 Ų
H-Bond Donors11
H-Bond Acceptors47
Rotatable Bonds30
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002542.95
LogP ≤ 522.51
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(3,6-difluoro-2-methoxyphenyl)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)-N-[(1R)-1-(5-fluoro-2-methoxy-3-methylphenyl)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-(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-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)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-(3-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(3,6-difluoro-2-methoxyphenyl)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)-N-[(1R)-1-(5-fluoro-2-methoxy-3-methylphenyl)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-(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-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[(1R)-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(3,6-difluoro-2-methoxyphenyl)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)-N-[(1R)-1-(5-fluoro-2-methoxy-3-methylphenyl)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-(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-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 165055036) is N-[(1R)-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(3,6-difluoro-2-methoxyphenyl)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)-N-[(1R)-1-(5-fluoro-2-methoxy-3-methylphenyl)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-(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-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(1R)-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(3,6-difluoro-2-methoxyphenyl)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)-N-[(1R)-1-(5-fluoro-2-methoxy-3-methylphenyl)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-(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-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[(1R)-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(3,6-difluoro-2-methoxyphenyl)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)-N-[(1R)-1-(5-fluoro-2-methoxy-3-methylphenyl)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-(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-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine is COc1c(C)cc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.COc1c(Cl)cc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.COc1c(F)ccc(F)c1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.COc1c([C@@H](C)Nc2ccn3ncc(C4=NC(C)(C)ON4)c3n2)cc(F)cc1C(F)(F)F.COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NOC(C)(C)N3C)c2n1.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(1R)-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(3,6-difluoro-2-methoxyphenyl)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)-N-[(1R)-1-(5-fluoro-2-methoxy-3-methylphenyl)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-(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-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is QGVHSYIYAKFKDS-JHJGLKIMSA-N. The full InChI is InChI=1S/C20H18F6N6O.C20H20F4N6O2.2C20H23FN6O2.C19H20ClFN6O2.C19H20F2N6O2/c1-10(12-8-11(21)4-5-14(12)19(22,23)20(24,25)26)28-15-6-7-32-17(29-15)13(9-27-32)16-30-18(2,3)33-31-16;1-10(12-7-11(21)8-14(16(12)31-4)20(22,23)24)26-15-5-6-30-18(27-15)13(9-25-30)17-28-19(2,3)32-29-17;1-11-8-13(21)9-14(17(11)28-5)12(2)23-16-6-7-27-19(24-16)15(10-22-27)18-25-20(3,4)29-26-18;1-12(14-10-13(21)6-7-16(14)28-5)23-17-8-9-27-18(24-17)15(11-22-27)19-25-29-20(2,3)26(19)4;1-10(12-7-11(21)8-14(20)16(12)28-4)23-15-5-6-27-18(24-15)13(9-22-27)17-25-19(2,3)29-26-17;1-10(15-12(20)5-6-13(21)16(15)28-4)23-14-7-8-27-18(24-14)11(9-22-27)17-25-19(2,3)29-26-17/h4-10H,1-3H3,(H,28,29)(H,30,31);5-10H,1-4H3,(H,26,27)(H,28,29);6-10,12H,1-5H3,(H,23,24)(H,25,26);6-12H,1-5H3,(H,23,24);2*5-10H,1-4H3,(H,23,24)(H,25,26)/t2*10-;2*12-;2*10-/m111111/s1.
What are the key properties of N-[(1R)-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(3,6-difluoro-2-methoxyphenyl)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)-N-[(1R)-1-(5-fluoro-2-methoxy-3-methylphenyl)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-(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-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-[(1R)-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(3,6-difluoro-2-methoxyphenyl)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)-N-[(1R)-1-(5-fluoro-2-methoxy-3-methylphenyl)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-(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-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 2542.95 g/mol, XLogP of 22.51, 30 rotatable bonds, 11 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(3,6-difluoro-2-methoxyphenyl)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)-N-[(1R)-1-(5-fluoro-2-methoxy-3-methylphenyl)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-(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-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 165055036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).