1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-[2-(1,1-difluoroethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxetan-3-yl)acetamide

C236H304F10N42O27S2 — CID 161158934

IUPAC1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-[2-(1,1-difluoroethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxetan-3-yl)acetamide
SMILESCC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N(C)C4COC4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCC(C)(O)C4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5ccsc5C4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5cncnc5C4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5oncc5C4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCn5c(nnc5C5CC5)C4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCn5nc(C(C)(F)F)nc5C4C)c(F)c3)CC2)n1.Cc1nc2c(s1)CN(C(=O)Cc1ccc(OCC[C@@H]3C[C@@H]3C3CCN(c4nc(C(C)C)no4)CC3)cc1F)CC2
InChIInChI=1S/C31H40F3N7O3.C31H40FN7O3.C30H37FN6O3.C30H38FN5O3S.C30H37FN4O3S.C29H36FN5O4.C28H39FN4O4.C27H37FN4O4/c1-18(2)27-35-30(44-38-27)39-10-7-20(8-11-39)24-15-21(24)9-14-43-23-6-5-22(25(32)17-23)16-26(42)40-12-13-41-28(19(40)3)36-29(37-41)31(4,33)34;1-19(2)29-33-31(42-36-29)37-10-7-20(8-11-37)25-15-22(25)9-14-41-24-6-5-23(26(32)17-24)16-28(40)38-12-13-39-27(18-38)34-35-30(39)21-3-4-21;1-19(2)29-34-30(40-35-29)36-9-5-20(6-10-36)25-13-21(25)8-12-39-24-4-3-22(26(31)15-24)14-28(38)37-11-7-23-16-32-18-33-27(23)17-37;1-18(2)29-33-30(39-34-29)35-10-6-20(7-11-35)24-14-21(24)9-13-38-23-5-4-22(25(31)16-23)15-28(37)36-12-8-26-27(17-36)40-19(3)32-26;1-19(2)29-32-30(38-33-29)34-10-5-20(6-11-34)25-15-22(25)8-13-37-24-4-3-23(26(31)17-24)16-28(36)35-12-7-21-9-14-39-27(21)18-35;1-18(2)28-32-29(39-33-28)34-9-5-19(6-10-34)24-13-20(24)8-12-37-23-4-3-21(25(30)15-23)14-27(36)35-11-7-26-22(17-35)16-31-38-26;1-18(2)26-30-27(37-31-26)32-10-6-19(7-11-32)23-14-20(23)8-13-36-22-5-4-21(24(29)16-22)15-25(34)33-12-9-28(3,35)17-33;1-17(2)26-29-27(36-30-26)32-9-6-18(7-10-32)23-12-19(23)8-11-35-22-5-4-20(24(28)14-22)13-25(33)31(3)21-15-34-16-21/h5-6,17-21,24H,7-16H2,1-4H3;5-6,17,19-22,25H,3-4,7-16,18H2,1-2H3;3-4,15-16,18-21,25H,5-14,17H2,1-2H3;4-5,16,18,20-21,24H,6-15,17H2,1-3H3;3-4,9,14,17,19-20,22,25H,5-8,10-13,15-16,18H2,1-2H3;3-4,15-16,18-20,24H,5-14,17H2,1-2H3;4-5,16,18-20,23,35H,6-15,17H2,1-3H3;4-5,14,17-19,21,23H,6-13,15-16H2,1-3H3/t19?,21-,24-;22-,25-;21-,25-;21-,24-;22-,25-;20-,24-;20-,23-,28?;19-,23-/m11111111/s1
InChIKeyUPRAWAOMXVSEJZ-AHXZBYDPSA-N
MW4415.41 g/mol
LogP39.17
Rot. Bonds75

About 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-[2-(1,1-difluoroethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxetan-3-yl)acetamide

1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-[2-(1,1-difluoroethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxetan-3-yl)acetamide (PubChem CID 161158934) has the molecular formula C236H304F10N42O27S2 and a molecular weight of 4415.41 g/mol. Its IUPAC name is 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-[2-(1,1-difluoroethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxetan-3-yl)acetamide.

Molecular Properties

Compound Name1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-[2-(1,1-difluoroethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxetan-3-yl)acetamide
PubChem CID161158934
Molecular FormulaC236H304F10N42O27S2
Molecular Weight4415.41 g/mol
Exact Mass4412.30
IUPAC Name1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-[2-(1,1-difluoroethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxetan-3-yl)acetamide
SMILESCC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N(C)C4COC4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCC(C)(O)C4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5ccsc5C4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5cncnc5C4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5oncc5C4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCn5c(nnc5C5CC5)C4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCn5nc(C(C)(F)F)nc5C4C)c(F)c3)CC2)n1.Cc1nc2c(s1)CN(C(=O)Cc1ccc(OCC[C@@H]3C[C@@H]3C3CCN(c4nc(C(C)C)no4)CC3)cc1F)CC2
InChIInChI=1S/C31H40F3N7O3.C31H40FN7O3.C30H37FN6O3.C30H38FN5O3S.C30H37FN4O3S.C29H36FN5O4.C28H39FN4O4.C27H37FN4O4/c1-18(2)27-35-30(44-38-27)39-10-7-20(8-11-39)24-15-21(24)9-14-43-23-6-5-22(25(32)17-23)16-26(42)40-12-13-41-28(19(40)3)36-29(37-41)31(4,33)34;1-19(2)29-33-31(42-36-29)37-10-7-20(8-11-37)25-15-22(25)9-14-41-24-6-5-23(26(32)17-24)16-28(40)38-12-13-39-27(18-38)34-35-30(39)21-3-4-21;1-19(2)29-34-30(40-35-29)36-9-5-20(6-10-36)25-13-21(25)8-12-39-24-4-3-22(26(31)15-24)14-28(38)37-11-7-23-16-32-18-33-27(23)17-37;1-18(2)29-33-30(39-34-29)35-10-6-20(7-11-35)24-14-21(24)9-13-38-23-5-4-22(25(31)16-23)15-28(37)36-12-8-26-27(17-36)40-19(3)32-26;1-19(2)29-32-30(38-33-29)34-10-5-20(6-11-34)25-15-22(25)8-13-37-24-4-3-23(26(31)17-24)16-28(36)35-12-7-21-9-14-39-27(21)18-35;1-18(2)28-32-29(39-33-28)34-9-5-19(6-10-34)24-13-20(24)8-12-37-23-4-3-21(25(30)15-23)14-27(36)35-11-7-26-22(17-35)16-31-38-26;1-18(2)26-30-27(37-31-26)32-10-6-19(7-11-32)23-14-20(23)8-13-36-22-5-4-21(24(29)16-22)15-25(34)33-12-9-28(3,35)17-33;1-17(2)26-29-27(36-30-26)32-9-6-18(7-10-32)23-12-19(23)8-11-35-22-5-4-20(24(28)14-22)13-25(33)31(3)21-15-34-16-21/h5-6,17-21,24H,7-16H2,1-4H3;5-6,17,19-22,25H,3-4,7-16,18H2,1-2H3;3-4,15-16,18-21,25H,5-14,17H2,1-2H3;4-5,16,18,20-21,24H,6-15,17H2,1-3H3;3-4,9,14,17,19-20,22,25H,5-8,10-13,15-16,18H2,1-2H3;3-4,15-16,18-20,24H,5-14,17H2,1-2H3;4-5,16,18-20,23,35H,6-15,17H2,1-3H3;4-5,14,17-19,21,23H,6-13,15-16H2,1-3H3/t19?,21-,24-;22-,25-;21-,25-;21-,24-;22-,25-;20-,24-;20-,23-,28?;19-,23-/m11111111/s1
InChIKeyUPRAWAOMXVSEJZ-AHXZBYDPSA-N
XLogP39.17
TPSA729.18 Ų
H-Bond Donors1
H-Bond Acceptors63
Rotatable Bonds75
Heavy Atoms317
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004415.41
LogP ≤ 539.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1063

Analyze 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-[2-(1,1-difluoroethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxetan-3-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-[2-(1,1-difluoroethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxetan-3-yl)acetamide?
The IUPAC name of 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-[2-(1,1-difluoroethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxetan-3-yl)acetamide (CID 161158934) is 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-[2-(1,1-difluoroethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxetan-3-yl)acetamide.
What is the SMILES notation for 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-[2-(1,1-difluoroethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxetan-3-yl)acetamide?
The canonical SMILES for 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-[2-(1,1-difluoroethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxetan-3-yl)acetamide is CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N(C)C4COC4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCC(C)(O)C4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5ccsc5C4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5cncnc5C4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5oncc5C4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCn5c(nnc5C5CC5)C4)c(F)c3)CC2)n1.CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCn5nc(C(C)(F)F)nc5C4C)c(F)c3)CC2)n1.Cc1nc2c(s1)CN(C(=O)Cc1ccc(OCC[C@@H]3C[C@@H]3C3CCN(c4nc(C(C)C)no4)CC3)cc1F)CC2.
What is the InChIKey of 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-[2-(1,1-difluoroethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxetan-3-yl)acetamide?
The InChIKey is UPRAWAOMXVSEJZ-AHXZBYDPSA-N. The full InChI is InChI=1S/C31H40F3N7O3.C31H40FN7O3.C30H37FN6O3.C30H38FN5O3S.C30H37FN4O3S.C29H36FN5O4.C28H39FN4O4.C27H37FN4O4/c1-18(2)27-35-30(44-38-27)39-10-7-20(8-11-39)24-15-21(24)9-14-43-23-6-5-22(25(32)17-23)16-26(42)40-12-13-41-28(19(40)3)36-29(37-41)31(4,33)34;1-19(2)29-33-31(42-36-29)37-10-7-20(8-11-37)25-15-22(25)9-14-41-24-6-5-23(26(32)17-24)16-28(40)38-12-13-39-27(18-38)34-35-30(39)21-3-4-21;1-19(2)29-34-30(40-35-29)36-9-5-20(6-10-36)25-13-21(25)8-12-39-24-4-3-22(26(31)15-24)14-28(38)37-11-7-23-16-32-18-33-27(23)17-37;1-18(2)29-33-30(39-34-29)35-10-6-20(7-11-35)24-14-21(24)9-13-38-23-5-4-22(25(31)16-23)15-28(37)36-12-8-26-27(17-36)40-19(3)32-26;1-19(2)29-32-30(38-33-29)34-10-5-20(6-11-34)25-15-22(25)8-13-37-24-4-3-23(26(31)17-24)16-28(36)35-12-7-21-9-14-39-27(21)18-35;1-18(2)28-32-29(39-33-28)34-9-5-19(6-10-34)24-13-20(24)8-12-37-23-4-3-21(25(30)15-23)14-27(36)35-11-7-26-22(17-35)16-31-38-26;1-18(2)26-30-27(37-31-26)32-10-6-19(7-11-32)23-14-20(23)8-13-36-22-5-4-21(24(29)16-22)15-25(34)33-12-9-28(3,35)17-33;1-17(2)26-29-27(36-30-26)32-9-6-18(7-10-32)23-12-19(23)8-11-35-22-5-4-20(24(28)14-22)13-25(33)31(3)21-15-34-16-21/h5-6,17-21,24H,7-16H2,1-4H3;5-6,17,19-22,25H,3-4,7-16,18H2,1-2H3;3-4,15-16,18-21,25H,5-14,17H2,1-2H3;4-5,16,18,20-21,24H,6-15,17H2,1-3H3;3-4,9,14,17,19-20,22,25H,5-8,10-13,15-16,18H2,1-2H3;3-4,15-16,18-20,24H,5-14,17H2,1-2H3;4-5,16,18-20,23,35H,6-15,17H2,1-3H3;4-5,14,17-19,21,23H,6-13,15-16H2,1-3H3/t19?,21-,24-;22-,25-;21-,25-;21-,24-;22-,25-;20-,24-;20-,23-,28?;19-,23-/m11111111/s1.
What are the key properties of 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-[2-(1,1-difluoroethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxetan-3-yl)acetamide?
1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-[2-(1,1-difluoroethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxetan-3-yl)acetamide has a molecular weight of 4415.41 g/mol, XLogP of 39.17, 75 rotatable bonds, 1 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-[2-(1,1-difluoroethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxetan-3-yl)acetamide is sourced from PubChem (CID 161158934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).