(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-methyl-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-phenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-pyridin-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(2-cyclopropyl-3-fluorophenyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-methyl-4-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C248H285FN52O11S6 — CID 157189651

IUPAC(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-methyl-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-phenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-pyridin-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(2-cyclopropyl-3-fluorophenyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-methyl-4-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCc1cc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)ccn1.Cc1cc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncsc45)C[C@H]3C2)ccn1.Cc1cc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncsc45)C[C@H]3C2)ccn1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc(F)c4C4CC4)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncsc45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncsc45)C[C@H]3C2)nn1.Cc1cnc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.O=C1[C@@H](CCCc2cccc3ncsc23)C[C@H]2CN(c3ccccc3)CCN12.O=C1[C@@H](CCCc2cccc3ncsc23)C[C@H]2CN(c3ccccn3)CCN12
InChIInChI=1S/C25H30FN3O.3C23H26N4OS.C23H25N3OS.3C22H26N6O.C22H25N5OS.C22H24N4OS.C21H25N7O/c1-17-8-11-23(27-15-17)28-12-13-29-21(16-28)14-20(25(29)30)6-2-4-18-5-3-7-22(26)24(18)19-9-10-19;2*1-16-12-19(8-9-24-16)26-10-11-27-20(14-26)13-18(23(27)28)6-2-4-17-5-3-7-21-22(17)29-15-25-21;1-16-8-9-21(24-13-16)26-10-11-27-19(14-26)12-18(23(27)28)6-2-4-17-5-3-7-20-22(17)29-15-25-20;27-23-18(8-4-6-17-7-5-11-21-22(17)28-16-24-21)14-20-15-25(12-13-26(20)23)19-9-2-1-3-10-19;1-16-12-19(8-9-23-16)26-10-11-27-20(14-26)13-17(22(27)29)4-2-5-18-6-3-7-21-24-15-25-28(18)21;2*1-16-8-9-20(23-13-16)26-10-11-27-19(14-26)12-17(22(27)29)4-2-5-18-6-3-7-21-24-15-25-28(18)21;1-15-8-9-20(25-24-15)26-10-11-27-18(13-26)12-17(22(27)28)6-2-4-16-5-3-7-19-21(16)29-14-23-19;27-22-17(7-3-5-16-6-4-8-19-21(16)28-15-24-19)13-18-14-25(11-12-26(18)22)20-9-1-2-10-23-20;1-15-11-22-21(23-12-15)26-8-9-27-18(13-26)10-16(20(27)29)4-2-5-17-6-3-7-19-24-14-25-28(17)19/h3,5,7-8,11,15,19-21H,2,4,6,9-10,12-14,16H2,1H3;2*3,5,7-9,12,15,18,20H,2,4,6,10-11,13-14H2,1H3;3,5,7-9,13,15,18-19H,2,4,6,10-12,14H2,1H3;1-3,5,7,9-11,16,18,20H,4,6,8,12-15H2;3,6-9,12,15,17,20H,2,4-5,10-11,13-14H2,1H3;2*3,6-9,13,15,17,19H,2,4-5,10-12,14H2,1H3;3,5,7-9,14,17-18H,2,4,6,10-13H2,1H3;1-2,4,6,8-10,15,17-18H,3,5,7,11-14H2;3,6-7,11-12,14,16,18H,2,4-5,8-10,13H2,1H3/t20-,21-;2*18-,20-;18-,19-;18-,20-;17-,20-;2*17-,19-;2*17-,18-;16-,18-/m00000000000/s1
InChIKeyAPNWYCVAGDJELB-HUYUHUGISA-N
MW4381.76 g/mol
LogP37.57
Rot. Bonds56

About (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-methyl-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-phenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-pyridin-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(2-cyclopropyl-3-fluorophenyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-methyl-4-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-methyl-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-phenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-pyridin-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(2-cyclopropyl-3-fluorophenyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-methyl-4-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 157189651) has the molecular formula C248H285FN52O11S6 and a molecular weight of 4381.76 g/mol. Its IUPAC name is (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-methyl-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-phenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-pyridin-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(2-cyclopropyl-3-fluorophenyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-methyl-4-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-methyl-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-phenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-pyridin-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(2-cyclopropyl-3-fluorophenyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-methyl-4-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID157189651
Molecular FormulaC248H285FN52O11S6
Molecular Weight4381.76 g/mol
Exact Mass4378.16
IUPAC Name(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-methyl-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-phenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-pyridin-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(2-cyclopropyl-3-fluorophenyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-methyl-4-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCc1cc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)ccn1.Cc1cc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncsc45)C[C@H]3C2)ccn1.Cc1cc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncsc45)C[C@H]3C2)ccn1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc(F)c4C4CC4)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncsc45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncsc45)C[C@H]3C2)nn1.Cc1cnc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.O=C1[C@@H](CCCc2cccc3ncsc23)C[C@H]2CN(c3ccccc3)CCN12.O=C1[C@@H](CCCc2cccc3ncsc23)C[C@H]2CN(c3ccccn3)CCN12
InChIInChI=1S/C25H30FN3O.3C23H26N4OS.C23H25N3OS.3C22H26N6O.C22H25N5OS.C22H24N4OS.C21H25N7O/c1-17-8-11-23(27-15-17)28-12-13-29-21(16-28)14-20(25(29)30)6-2-4-18-5-3-7-22(26)24(18)19-9-10-19;2*1-16-12-19(8-9-24-16)26-10-11-27-20(14-26)13-18(23(27)28)6-2-4-17-5-3-7-21-22(17)29-15-25-21;1-16-8-9-21(24-13-16)26-10-11-27-19(14-26)12-18(23(27)28)6-2-4-17-5-3-7-20-22(17)29-15-25-20;27-23-18(8-4-6-17-7-5-11-21-22(17)28-16-24-21)14-20-15-25(12-13-26(20)23)19-9-2-1-3-10-19;1-16-12-19(8-9-23-16)26-10-11-27-20(14-26)13-17(22(27)29)4-2-5-18-6-3-7-21-24-15-25-28(18)21;2*1-16-8-9-20(23-13-16)26-10-11-27-19(14-26)12-17(22(27)29)4-2-5-18-6-3-7-21-24-15-25-28(18)21;1-15-8-9-20(25-24-15)26-10-11-27-18(13-26)12-17(22(27)28)6-2-4-16-5-3-7-19-21(16)29-14-23-19;27-22-17(7-3-5-16-6-4-8-19-21(16)28-15-24-19)13-18-14-25(11-12-26(18)22)20-9-1-2-10-23-20;1-15-11-22-21(23-12-15)26-8-9-27-18(13-26)10-16(20(27)29)4-2-5-17-6-3-7-19-24-14-25-28(17)19/h3,5,7-8,11,15,19-21H,2,4,6,9-10,12-14,16H2,1H3;2*3,5,7-9,12,15,18,20H,2,4,6,10-11,13-14H2,1H3;3,5,7-9,13,15,18-19H,2,4,6,10-12,14H2,1H3;1-3,5,7,9-11,16,18,20H,4,6,8,12-15H2;3,6-9,12,15,17,20H,2,4-5,10-11,13-14H2,1H3;2*3,6-9,13,15,17,19H,2,4-5,10-12,14H2,1H3;3,5,7-9,14,17-18H,2,4,6,10-13H2,1H3;1-2,4,6,8-10,15,17-18H,3,5,7,11-14H2;3,6-7,11-12,14,16,18H,2,4-5,8-10,13H2,1H3/t20-,21-;2*18-,20-;18-,19-;18-,20-;17-,20-;2*17-,19-;2*17-,18-;16-,18-/m00000000000/s1
InChIKeyAPNWYCVAGDJELB-HUYUHUGISA-N
XLogP37.57
TPSA611.83 Ų
H-Bond Donors
H-Bond Acceptors58
Rotatable Bonds56
Heavy Atoms318
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004381.76
LogP ≤ 537.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1058

Analyze (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-methyl-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-phenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-pyridin-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(2-cyclopropyl-3-fluorophenyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-methyl-4-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-methyl-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-phenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-pyridin-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(2-cyclopropyl-3-fluorophenyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-methyl-4-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-methyl-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-phenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-pyridin-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(2-cyclopropyl-3-fluorophenyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-methyl-4-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 157189651) is (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-methyl-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-phenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-pyridin-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(2-cyclopropyl-3-fluorophenyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-methyl-4-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-methyl-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-phenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-pyridin-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(2-cyclopropyl-3-fluorophenyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-methyl-4-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-methyl-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-phenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-pyridin-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(2-cyclopropyl-3-fluorophenyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-methyl-4-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is Cc1cc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)ccn1.Cc1cc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncsc45)C[C@H]3C2)ccn1.Cc1cc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncsc45)C[C@H]3C2)ccn1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc(F)c4C4CC4)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncsc45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncsc45)C[C@H]3C2)nn1.Cc1cnc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.O=C1[C@@H](CCCc2cccc3ncsc23)C[C@H]2CN(c3ccccc3)CCN12.O=C1[C@@H](CCCc2cccc3ncsc23)C[C@H]2CN(c3ccccn3)CCN12.
What is the InChIKey of (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-methyl-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-phenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-pyridin-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(2-cyclopropyl-3-fluorophenyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-methyl-4-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is APNWYCVAGDJELB-HUYUHUGISA-N. The full InChI is InChI=1S/C25H30FN3O.3C23H26N4OS.C23H25N3OS.3C22H26N6O.C22H25N5OS.C22H24N4OS.C21H25N7O/c1-17-8-11-23(27-15-17)28-12-13-29-21(16-28)14-20(25(29)30)6-2-4-18-5-3-7-22(26)24(18)19-9-10-19;2*1-16-12-19(8-9-24-16)26-10-11-27-20(14-26)13-18(23(27)28)6-2-4-17-5-3-7-21-22(17)29-15-25-21;1-16-8-9-21(24-13-16)26-10-11-27-19(14-26)12-18(23(27)28)6-2-4-17-5-3-7-20-22(17)29-15-25-20;27-23-18(8-4-6-17-7-5-11-21-22(17)28-16-24-21)14-20-15-25(12-13-26(20)23)19-9-2-1-3-10-19;1-16-12-19(8-9-23-16)26-10-11-27-20(14-26)13-17(22(27)29)4-2-5-18-6-3-7-21-24-15-25-28(18)21;2*1-16-8-9-20(23-13-16)26-10-11-27-19(14-26)12-17(22(27)29)4-2-5-18-6-3-7-21-24-15-25-28(18)21;1-15-8-9-20(25-24-15)26-10-11-27-18(13-26)12-17(22(27)28)6-2-4-16-5-3-7-19-21(16)29-14-23-19;27-22-17(7-3-5-16-6-4-8-19-21(16)28-15-24-19)13-18-14-25(11-12-26(18)22)20-9-1-2-10-23-20;1-15-11-22-21(23-12-15)26-8-9-27-18(13-26)10-16(20(27)29)4-2-5-17-6-3-7-19-24-14-25-28(17)19/h3,5,7-8,11,15,19-21H,2,4,6,9-10,12-14,16H2,1H3;2*3,5,7-9,12,15,18,20H,2,4,6,10-11,13-14H2,1H3;3,5,7-9,13,15,18-19H,2,4,6,10-12,14H2,1H3;1-3,5,7,9-11,16,18,20H,4,6,8,12-15H2;3,6-9,12,15,17,20H,2,4-5,10-11,13-14H2,1H3;2*3,6-9,13,15,17,19H,2,4-5,10-12,14H2,1H3;3,5,7-9,14,17-18H,2,4,6,10-13H2,1H3;1-2,4,6,8-10,15,17-18H,3,5,7,11-14H2;3,6-7,11-12,14,16,18H,2,4-5,8-10,13H2,1H3/t20-,21-;2*18-,20-;18-,19-;18-,20-;17-,20-;2*17-,19-;2*17-,18-;16-,18-/m00000000000/s1.
What are the key properties of (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-methyl-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-phenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-pyridin-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(2-cyclopropyl-3-fluorophenyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-methyl-4-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-methyl-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-phenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-pyridin-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(2-cyclopropyl-3-fluorophenyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-methyl-4-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 4381.76 g/mol, XLogP of 37.57, 56 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-methyl-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-phenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-pyridin-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(2-cyclopropyl-3-fluorophenyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-methyl-4-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;bis((7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 157189651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).