(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;(7S,8aS)-2-(5-cyclopropyl-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;(8aS)-2-(4,5-dimethyl-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;(8aS)-2-[5-(1-fluoroethyl)-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;(8aS)-2-(5-fluoro-6-methyl-3-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-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;(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;(8aS)-2-(5-methyl-3-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)-2-(5-prop-1-en-2-yl-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

C225H264F2N60O10S — CID 158264057

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;(7S,8aS)-2-(5-cyclopropyl-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;(8aS)-2-(4,5-dimethyl-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;(8aS)-2-[5-(1-fluoroethyl)-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;(8aS)-2-(5-fluoro-6-methyl-3-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-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;(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;(8aS)-2-(5-methyl-3-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)-2-(5-prop-1-en-2-yl-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
SMILESC=C(C)c1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.CC(F)c1ccc(N2CCN3C(=O)C(CCCc4cccc5ncnn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)C(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)nn1.Cc1cnc(N2CCN3C(=O)C(CCCc4cccc5ncnn45)C[C@H]3C2)cc1C.Cc1cnc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.Cc1cncc(N2CCN3C(=O)C(CCCc4cccc5ncnn45)C[C@H]3C2)c1.Cc1ncc(N2CCN3C(=O)C(CCCc4cccc5ncnn45)C[C@H]3C2)cc1F.O=C1[C@@H](CCCc2cccc3ncnn23)C[C@H]2CN(c3ccc(C4CC4)cn3)CCN12
InChIInChI=1S/2C24H28N6O.C23H27FN6O.C23H28N6O.C22H25FN6O.3C22H26N6O.C22H25N5OS.C21H25N7O/c31-24-18(3-1-4-20-5-2-6-23-26-16-27-30(20)23)13-21-15-28(11-12-29(21)24)22-10-9-19(14-25-22)17-7-8-17;1-17(2)19-9-10-22(25-14-19)28-11-12-29-21(15-28)13-18(24(29)31)5-3-6-20-7-4-8-23-26-16-27-30(20)23;1-16(24)18-8-9-21(25-13-18)28-10-11-29-20(14-28)12-17(23(29)31)4-2-5-19-6-3-7-22-26-15-27-30(19)22;1-16-11-22(24-13-17(16)2)27-9-10-28-20(14-27)12-18(23(28)30)5-3-6-19-7-4-8-21-25-15-26-29(19)21;1-15-20(23)11-18(12-24-15)27-8-9-28-19(13-27)10-16(22(28)30)4-2-5-17-6-3-7-21-25-14-26-29(17)21;1-16-10-19(13-23-12-16)26-8-9-27-20(14-26)11-17(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;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/h2,5-6,9-10,14,16-18,21H,1,3-4,7-8,11-13,15H2;4,7-10,14,16,18,21H,1,3,5-6,11-13,15H2,2H3;3,6-9,13,15-17,20H,2,4-5,10-12,14H2,1H3;4,7-8,11,13,15,18,20H,3,5-6,9-10,12,14H2,1-2H3;3,6-7,11-12,14,16,19H,2,4-5,8-10,13H2,1H3;3,6-7,10,12-13,15,17,20H,2,4-5,8-9,11,14H2,1H3;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;3,6-7,11-12,14,16,18H,2,4-5,8-10,13H2,1H3/t2*18-,21-;16?,17?,20-;18?,20-;16?,19-;17?,20-;17?,19-;17-,19-;17-,18-;16-,18-/m0000000000/s1
InChIKeyGIFJHBISBIXULY-QNRTZCMTSA-N
MW4039.06 g/mol
LogP27.75
Rot. Bonds53

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;(7S,8aS)-2-(5-cyclopropyl-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;(8aS)-2-(4,5-dimethyl-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;(8aS)-2-[5-(1-fluoroethyl)-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;(8aS)-2-(5-fluoro-6-methyl-3-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-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;(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;(8aS)-2-(5-methyl-3-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)-2-(5-prop-1-en-2-yl-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)-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;(7S,8aS)-2-(5-cyclopropyl-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;(8aS)-2-(4,5-dimethyl-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;(8aS)-2-[5-(1-fluoroethyl)-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;(8aS)-2-(5-fluoro-6-methyl-3-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-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;(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;(8aS)-2-(5-methyl-3-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)-2-(5-prop-1-en-2-yl-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 (PubChem CID 158264057) has the molecular formula C225H264F2N60O10S and a molecular weight of 4039.06 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;(7S,8aS)-2-(5-cyclopropyl-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;(8aS)-2-(4,5-dimethyl-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;(8aS)-2-[5-(1-fluoroethyl)-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;(8aS)-2-(5-fluoro-6-methyl-3-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-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;(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;(8aS)-2-(5-methyl-3-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)-2-(5-prop-1-en-2-yl-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.

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;(7S,8aS)-2-(5-cyclopropyl-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;(8aS)-2-(4,5-dimethyl-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;(8aS)-2-[5-(1-fluoroethyl)-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;(8aS)-2-(5-fluoro-6-methyl-3-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-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;(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;(8aS)-2-(5-methyl-3-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)-2-(5-prop-1-en-2-yl-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
PubChem CID158264057
Molecular FormulaC225H264F2N60O10S
Molecular Weight4039.06 g/mol
Exact Mass4036.17
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;(7S,8aS)-2-(5-cyclopropyl-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;(8aS)-2-(4,5-dimethyl-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;(8aS)-2-[5-(1-fluoroethyl)-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;(8aS)-2-(5-fluoro-6-methyl-3-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-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;(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;(8aS)-2-(5-methyl-3-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)-2-(5-prop-1-en-2-yl-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
SMILESC=C(C)c1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.CC(F)c1ccc(N2CCN3C(=O)C(CCCc4cccc5ncnn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)C(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)nn1.Cc1cnc(N2CCN3C(=O)C(CCCc4cccc5ncnn45)C[C@H]3C2)cc1C.Cc1cnc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.Cc1cncc(N2CCN3C(=O)C(CCCc4cccc5ncnn45)C[C@H]3C2)c1.Cc1ncc(N2CCN3C(=O)C(CCCc4cccc5ncnn45)C[C@H]3C2)cc1F.O=C1[C@@H](CCCc2cccc3ncnn23)C[C@H]2CN(c3ccc(C4CC4)cn3)CCN12
InChIInChI=1S/2C24H28N6O.C23H27FN6O.C23H28N6O.C22H25FN6O.3C22H26N6O.C22H25N5OS.C21H25N7O/c31-24-18(3-1-4-20-5-2-6-23-26-16-27-30(20)23)13-21-15-28(11-12-29(21)24)22-10-9-19(14-25-22)17-7-8-17;1-17(2)19-9-10-22(25-14-19)28-11-12-29-21(15-28)13-18(24(29)31)5-3-6-20-7-4-8-23-26-16-27-30(20)23;1-16(24)18-8-9-21(25-13-18)28-10-11-29-20(14-28)12-17(23(29)31)4-2-5-19-6-3-7-22-26-15-27-30(19)22;1-16-11-22(24-13-17(16)2)27-9-10-28-20(14-27)12-18(23(28)30)5-3-6-19-7-4-8-21-25-15-26-29(19)21;1-15-20(23)11-18(12-24-15)27-8-9-28-19(13-27)10-16(22(28)30)4-2-5-17-6-3-7-21-25-14-26-29(17)21;1-16-10-19(13-23-12-16)26-8-9-27-20(14-26)11-17(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;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/h2,5-6,9-10,14,16-18,21H,1,3-4,7-8,11-13,15H2;4,7-10,14,16,18,21H,1,3,5-6,11-13,15H2,2H3;3,6-9,13,15-17,20H,2,4-5,10-12,14H2,1H3;4,7-8,11,13,15,18,20H,3,5-6,9-10,12,14H2,1-2H3;3,6-7,11-12,14,16,19H,2,4-5,8-10,13H2,1H3;3,6-7,10,12-13,15,17,20H,2,4-5,8-9,11,14H2,1H3;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;3,6-7,11-12,14,16,18H,2,4-5,8-10,13H2,1H3/t2*18-,21-;16?,17?,20-;18?,20-;16?,19-;17?,20-;17?,19-;17-,19-;17-,18-;16-,18-/m0000000000/s1
InChIKeyGIFJHBISBIXULY-QNRTZCMTSA-N
XLogP27.75
TPSA674.78 Ų
H-Bond Donors
H-Bond Acceptors61
Rotatable Bonds53
Heavy Atoms298
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004039.06
LogP ≤ 527.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1061

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;(7S,8aS)-2-(5-cyclopropyl-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;(8aS)-2-(4,5-dimethyl-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;(8aS)-2-[5-(1-fluoroethyl)-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;(8aS)-2-(5-fluoro-6-methyl-3-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-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;(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;(8aS)-2-(5-methyl-3-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)-2-(5-prop-1-en-2-yl-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 with MolForge

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Related Compounds

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515641
1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone
CID 157595050
1-[4-[4-(Difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
CID 158111735
1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone
CID 158390373
1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone
CID 158677392
1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone
CID 158715257
1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone
CID 158781734
1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone
CID 158806589
1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone
CID 159071561
N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohexyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohexyl]-2,2-difluorocyclopropane-1-carboxamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohexyl]-1-fluorocyclopropane-1-carboxamide;N-[5-[1-(3,3-difluorocyclobutanecarbonyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-(2,2-difluorocyclopropanecarbonyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 160281889
2-(6-Fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4-fluoro-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(5-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone
CID 160592725
CID 160725837
CID 160725837

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;(7S,8aS)-2-(5-cyclopropyl-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;(8aS)-2-(4,5-dimethyl-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;(8aS)-2-[5-(1-fluoroethyl)-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;(8aS)-2-(5-fluoro-6-methyl-3-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-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;(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;(8aS)-2-(5-methyl-3-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)-2-(5-prop-1-en-2-yl-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?
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;(7S,8aS)-2-(5-cyclopropyl-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;(8aS)-2-(4,5-dimethyl-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;(8aS)-2-[5-(1-fluoroethyl)-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;(8aS)-2-(5-fluoro-6-methyl-3-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-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;(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;(8aS)-2-(5-methyl-3-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)-2-(5-prop-1-en-2-yl-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 (CID 158264057) 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;(7S,8aS)-2-(5-cyclopropyl-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;(8aS)-2-(4,5-dimethyl-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;(8aS)-2-[5-(1-fluoroethyl)-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;(8aS)-2-(5-fluoro-6-methyl-3-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-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;(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;(8aS)-2-(5-methyl-3-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)-2-(5-prop-1-en-2-yl-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.
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;(7S,8aS)-2-(5-cyclopropyl-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;(8aS)-2-(4,5-dimethyl-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;(8aS)-2-[5-(1-fluoroethyl)-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;(8aS)-2-(5-fluoro-6-methyl-3-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-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;(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;(8aS)-2-(5-methyl-3-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)-2-(5-prop-1-en-2-yl-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?
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;(7S,8aS)-2-(5-cyclopropyl-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;(8aS)-2-(4,5-dimethyl-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;(8aS)-2-[5-(1-fluoroethyl)-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;(8aS)-2-(5-fluoro-6-methyl-3-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-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;(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;(8aS)-2-(5-methyl-3-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)-2-(5-prop-1-en-2-yl-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 is C=C(C)c1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.CC(F)c1ccc(N2CCN3C(=O)C(CCCc4cccc5ncnn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)C(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)nn1.Cc1cnc(N2CCN3C(=O)C(CCCc4cccc5ncnn45)C[C@H]3C2)cc1C.Cc1cnc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.Cc1cncc(N2CCN3C(=O)C(CCCc4cccc5ncnn45)C[C@H]3C2)c1.Cc1ncc(N2CCN3C(=O)C(CCCc4cccc5ncnn45)C[C@H]3C2)cc1F.O=C1[C@@H](CCCc2cccc3ncnn23)C[C@H]2CN(c3ccc(C4CC4)cn3)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;(7S,8aS)-2-(5-cyclopropyl-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;(8aS)-2-(4,5-dimethyl-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;(8aS)-2-[5-(1-fluoroethyl)-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;(8aS)-2-(5-fluoro-6-methyl-3-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-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;(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;(8aS)-2-(5-methyl-3-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)-2-(5-prop-1-en-2-yl-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?
The InChIKey is GIFJHBISBIXULY-QNRTZCMTSA-N. The full InChI is InChI=1S/2C24H28N6O.C23H27FN6O.C23H28N6O.C22H25FN6O.3C22H26N6O.C22H25N5OS.C21H25N7O/c31-24-18(3-1-4-20-5-2-6-23-26-16-27-30(20)23)13-21-15-28(11-12-29(21)24)22-10-9-19(14-25-22)17-7-8-17;1-17(2)19-9-10-22(25-14-19)28-11-12-29-21(15-28)13-18(24(29)31)5-3-6-20-7-4-8-23-26-16-27-30(20)23;1-16(24)18-8-9-21(25-13-18)28-10-11-29-20(14-28)12-17(23(29)31)4-2-5-19-6-3-7-22-26-15-27-30(19)22;1-16-11-22(24-13-17(16)2)27-9-10-28-20(14-27)12-18(23(28)30)5-3-6-19-7-4-8-21-25-15-26-29(19)21;1-15-20(23)11-18(12-24-15)27-8-9-28-19(13-27)10-16(22(28)30)4-2-5-17-6-3-7-21-25-14-26-29(17)21;1-16-10-19(13-23-12-16)26-8-9-27-20(14-26)11-17(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;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/h2,5-6,9-10,14,16-18,21H,1,3-4,7-8,11-13,15H2;4,7-10,14,16,18,21H,1,3,5-6,11-13,15H2,2H3;3,6-9,13,15-17,20H,2,4-5,10-12,14H2,1H3;4,7-8,11,13,15,18,20H,3,5-6,9-10,12,14H2,1-2H3;3,6-7,11-12,14,16,19H,2,4-5,8-10,13H2,1H3;3,6-7,10,12-13,15,17,20H,2,4-5,8-9,11,14H2,1H3;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;3,6-7,11-12,14,16,18H,2,4-5,8-10,13H2,1H3/t2*18-,21-;16?,17?,20-;18?,20-;16?,19-;17?,20-;17?,19-;17-,19-;17-,18-;16-,18-/m0000000000/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;(7S,8aS)-2-(5-cyclopropyl-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;(8aS)-2-(4,5-dimethyl-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;(8aS)-2-[5-(1-fluoroethyl)-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;(8aS)-2-(5-fluoro-6-methyl-3-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-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;(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;(8aS)-2-(5-methyl-3-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)-2-(5-prop-1-en-2-yl-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)-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;(7S,8aS)-2-(5-cyclopropyl-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;(8aS)-2-(4,5-dimethyl-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;(8aS)-2-[5-(1-fluoroethyl)-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;(8aS)-2-(5-fluoro-6-methyl-3-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-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;(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;(8aS)-2-(5-methyl-3-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)-2-(5-prop-1-en-2-yl-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 has a molecular weight of 4039.06 g/mol, XLogP of 27.75, 53 rotatable bonds, 0 hydrogen bond donors, and 61 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;(7S,8aS)-2-(5-cyclopropyl-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;(8aS)-2-(4,5-dimethyl-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;(8aS)-2-[5-(1-fluoroethyl)-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;(8aS)-2-(5-fluoro-6-methyl-3-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-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;(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;(8aS)-2-(5-methyl-3-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)-2-(5-prop-1-en-2-yl-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 is sourced from PubChem (CID 158264057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).