4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-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)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-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)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine

C116H124F9N37O13 — CID 164967651

IUPAC4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-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)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-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)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine
SMILESCCc1ncc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(-c3noc(=O)n3C3CC3)c2n1.COc1ccc(F)cc1[C@@H](C)Oc1cn2c(C3=NC(C)(C)ON3)cnc2nc1N.COc1ccc(F)cc1[C@H](C)Oc1cn2c(C3=NC(C)(C)ON3)cnc2nc1N.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1C(C)(F)F.[2H]C([2H])([2H])Oc1ccc(F)cc1[C@@H](C)Nc1nc2c(C3=NC(C)(C)ON3)cnn2cc1F
InChIInChI=1S/C20H21F3N6O.C20H19FN6O3.C19H20F2N6O2.C19H22FN7O.2C19H21FN6O3/c1-11(13-9-12(21)5-6-15(13)20(4,22)23)25-16-7-8-29-18(26-16)14(10-24-29)17-27-19(2,3)30-28-17;1-11(14-9-12(21)3-6-16(14)29-2)23-17-7-8-26-18(24-17)15(10-22-26)19-25-30-20(28)27(19)13-4-5-13;1-10(12-7-11(20)5-6-15(12)28-4)23-17-14(21)9-27-18(24-17)13(8-22-27)16-25-19(2,3)29-26-16;1-5-15-13(8-12(20)9-21-15)11(2)23-16-6-7-27-18(24-16)14(10-22-27)17-25-19(3,4)28-26-17;2*1-10(12-7-11(20)5-6-14(12)27-4)28-15-9-26-13(8-22-18(26)23-16(15)21)17-24-19(2,3)29-25-17/h5-11H,1-4H3,(H,25,26)(H,27,28);3,6-11,13H,4-5H2,1-2H3,(H,23,24);5-10H,1-4H3,(H,23,24)(H,25,26);6-11H,5H2,1-4H3,(H,23,24)(H,25,26);2*5-10H,1-4H3,(H,24,25)(H2,21,22,23)/t2*11-;10-;11-;2*10-/m111110/s1/i;;4D3;;;
InChIKeyCRQGGULGPAFEMU-ILNZJUBMSA-N
MW2418.51 g/mol
LogP18.83
Rot. Bonds32

About 4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-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)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-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)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine

4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-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)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-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)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine (PubChem CID 164967651) has the molecular formula C116H124F9N37O13 and a molecular weight of 2418.51 g/mol. Its IUPAC name is 4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-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)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-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)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine.

Molecular Properties

Compound Name4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-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)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-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)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine
PubChem CID164967651
Molecular FormulaC116H124F9N37O13
Molecular Weight2418.51 g/mol
Exact Mass2417.02
IUPAC Name4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-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)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-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)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine
SMILESCCc1ncc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(-c3noc(=O)n3C3CC3)c2n1.COc1ccc(F)cc1[C@@H](C)Oc1cn2c(C3=NC(C)(C)ON3)cnc2nc1N.COc1ccc(F)cc1[C@H](C)Oc1cn2c(C3=NC(C)(C)ON3)cnc2nc1N.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1C(C)(F)F.[2H]C([2H])([2H])Oc1ccc(F)cc1[C@@H](C)Nc1nc2c(C3=NC(C)(C)ON3)cnn2cc1F
InChIInChI=1S/C20H21F3N6O.C20H19FN6O3.C19H20F2N6O2.C19H22FN7O.2C19H21FN6O3/c1-11(13-9-12(21)5-6-15(13)20(4,22)23)25-16-7-8-29-18(26-16)14(10-24-29)17-27-19(2,3)30-28-17;1-11(14-9-12(21)3-6-16(14)29-2)23-17-7-8-26-18(24-17)15(10-22-26)19-25-30-20(28)27(19)13-4-5-13;1-10(12-7-11(20)5-6-15(12)28-4)23-17-14(21)9-27-18(24-17)13(8-22-27)16-25-19(2,3)29-26-16;1-5-15-13(8-12(20)9-21-15)11(2)23-16-6-7-27-18(24-16)14(10-22-27)17-25-19(3,4)28-26-17;2*1-10(12-7-11(20)5-6-14(12)27-4)28-15-9-26-13(8-22-18(26)23-16(15)21)17-24-19(2,3)29-25-17/h5-11H,1-4H3,(H,25,26)(H,27,28);3,6-11,13H,4-5H2,1-2H3,(H,23,24);5-10H,1-4H3,(H,23,24)(H,25,26);6-11H,5H2,1-4H3,(H,23,24)(H,25,26);2*5-10H,1-4H3,(H,24,25)(H2,21,22,23)/t2*11-;10-;11-;2*10-/m111110/s1/i;;4D3;;;
InChIKeyCRQGGULGPAFEMU-ILNZJUBMSA-N
XLogP18.83
TPSA565.70 Ų
H-Bond Donors11
H-Bond Acceptors50
Rotatable Bonds32
Heavy Atoms175
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002418.51
LogP ≤ 518.83
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1050

Analyze 4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-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)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-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)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-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)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-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)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine?
The IUPAC name of 4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-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)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-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)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine (CID 164967651) is 4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-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)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-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)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine.
What is the SMILES notation for 4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-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)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-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)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine?
The canonical SMILES for 4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-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)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-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)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine is CCc1ncc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(-c3noc(=O)n3C3CC3)c2n1.COc1ccc(F)cc1[C@@H](C)Oc1cn2c(C3=NC(C)(C)ON3)cnc2nc1N.COc1ccc(F)cc1[C@H](C)Oc1cn2c(C3=NC(C)(C)ON3)cnc2nc1N.C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1C(C)(F)F.[2H]C([2H])([2H])Oc1ccc(F)cc1[C@@H](C)Nc1nc2c(C3=NC(C)(C)ON3)cnn2cc1F.
What is the InChIKey of 4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-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)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-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)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine?
The InChIKey is CRQGGULGPAFEMU-ILNZJUBMSA-N. The full InChI is InChI=1S/C20H21F3N6O.C20H19FN6O3.C19H20F2N6O2.C19H22FN7O.2C19H21FN6O3/c1-11(13-9-12(21)5-6-15(13)20(4,22)23)25-16-7-8-29-18(26-16)14(10-24-29)17-27-19(2,3)30-28-17;1-11(14-9-12(21)3-6-16(14)29-2)23-17-7-8-26-18(24-17)15(10-22-26)19-25-30-20(28)27(19)13-4-5-13;1-10(12-7-11(20)5-6-15(12)28-4)23-17-14(21)9-27-18(24-17)13(8-22-27)16-25-19(2,3)29-26-16;1-5-15-13(8-12(20)9-21-15)11(2)23-16-6-7-27-18(24-16)14(10-22-27)17-25-19(3,4)28-26-17;2*1-10(12-7-11(20)5-6-14(12)27-4)28-15-9-26-13(8-22-18(26)23-16(15)21)17-24-19(2,3)29-25-17/h5-11H,1-4H3,(H,25,26)(H,27,28);3,6-11,13H,4-5H2,1-2H3,(H,23,24);5-10H,1-4H3,(H,23,24)(H,25,26);6-11H,5H2,1-4H3,(H,23,24)(H,25,26);2*5-10H,1-4H3,(H,24,25)(H2,21,22,23)/t2*11-;10-;11-;2*10-/m111110/s1/i;;4D3;;;.
What are the key properties of 4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-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)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-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)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine?
4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-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)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-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)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine has a molecular weight of 2418.51 g/mol, XLogP of 18.83, 32 rotatable bonds, 11 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-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)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-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)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine is sourced from PubChem (CID 164967651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).