(7S,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3,3-difluoro-3-(2-methoxy-4-pyridinyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-fluorophenyl)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-2-(5-methyl-2-pyridinyl)-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;7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C227H249F10N37O12S5 — CID 159208912

IUPAC(7S,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3,3-difluoro-3-(2-methoxy-4-pyridinyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-fluorophenyl)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-2-(5-methyl-2-pyridinyl)-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;7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCOc1cc(C(F)(F)CC[C@H]2C[C@H]3CN(c4ccc(C)cn4)CCN3C2=O)ccn1.Cc1ccc(N2CCN3C(=O)[C@@H](CCC(O)c4ccc(F)c(F)c4)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5nccn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.O=C1C(CCCc2cccc3ncsc23)CC2CN(c3ccccc3F)CCN12.O=C1[C@@H](CCCc2cccc3nccn23)C[C@H]2CN(c3ccccc3F)CCN12.O=C1[C@@H](CCCc2cccc3ncsc23)C[C@@H]2CN(c3ccccc3F)CCN12.O=C1[C@@H](CCCc2cccc3ncsc23)C[C@H]2CN(c3ccccc3F)CCN12.O=C1[C@H](CCCc2cccc3ncsc23)C[C@@H]2CN(c3ccccc3F)CCN12.O=C1[C@H](CCCc2cccc3ncsc23)C[C@H]2CN(c3ccccc3F)CCN12
InChIInChI=1S/C23H25FN4O.5C23H24FN3OS.C23H27N5O.C22H26F2N4O2.C22H25F2N3O2.C22H26N6O/c24-20-8-1-2-9-21(20)26-13-14-28-19(16-26)15-17(23(28)29)5-3-6-18-7-4-10-22-25-11-12-27(18)22;5*24-19-8-1-2-10-21(19)26-11-12-27-18(14-26)13-17(23(27)28)7-3-5-16-6-4-9-20-22(16)29-15-25-20;1-17-8-9-21(25-15-17)26-12-13-28-20(16-26)14-18(23(28)29)4-2-5-19-6-3-7-22-24-10-11-27(19)22;1-15-3-4-19(26-13-15)27-9-10-28-18(14-27)11-16(21(28)29)5-7-22(23,24)17-6-8-25-20(12-17)30-2;1-14-2-7-21(25-12-14)26-8-9-27-17(13-26)10-16(22(27)29)4-6-20(28)15-3-5-18(23)19(24)11-15;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/h1-2,4,7-12,17,19H,3,5-6,13-16H2;5*1-2,4,6,8-10,15,17-18H,3,5,7,11-14H2;3,6-11,15,18,20H,2,4-5,12-14,16H2,1H3;3-4,6,8,12-13,16,18H,5,7,9-11,14H2,1-2H3;2-3,5,7,11-12,16-17,20,28H,4,6,8-10,13H2,1H3;3,6-9,13,15,17,19H,2,4-5,10-12,14H2,1H3/t17-,19-;2*17-,18+;2*17-,18-;;18-,20-;16-,18-;16-,17-,20?;17-,19-/m01010.0000/s1
InChIKeyKQFWNNAULCSYFM-VPCHNILKSA-N
MW4038.05 g/mol
LogP38.22
Rot. Bonds51

About (7S,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3,3-difluoro-3-(2-methoxy-4-pyridinyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-fluorophenyl)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-2-(5-methyl-2-pyridinyl)-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;7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

(7S,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3,3-difluoro-3-(2-methoxy-4-pyridinyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-fluorophenyl)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-2-(5-methyl-2-pyridinyl)-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;7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 159208912) has the molecular formula C227H249F10N37O12S5 and a molecular weight of 4038.05 g/mol. Its IUPAC name is (7S,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3,3-difluoro-3-(2-methoxy-4-pyridinyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-fluorophenyl)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-2-(5-methyl-2-pyridinyl)-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;7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name(7S,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3,3-difluoro-3-(2-methoxy-4-pyridinyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-fluorophenyl)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-2-(5-methyl-2-pyridinyl)-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;7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID159208912
Molecular FormulaC227H249F10N37O12S5
Molecular Weight4038.05 g/mol
Exact Mass4034.85
IUPAC Name(7S,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3,3-difluoro-3-(2-methoxy-4-pyridinyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-fluorophenyl)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-2-(5-methyl-2-pyridinyl)-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;7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCOc1cc(C(F)(F)CC[C@H]2C[C@H]3CN(c4ccc(C)cn4)CCN3C2=O)ccn1.Cc1ccc(N2CCN3C(=O)[C@@H](CCC(O)c4ccc(F)c(F)c4)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5nccn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.O=C1C(CCCc2cccc3ncsc23)CC2CN(c3ccccc3F)CCN12.O=C1[C@@H](CCCc2cccc3nccn23)C[C@H]2CN(c3ccccc3F)CCN12.O=C1[C@@H](CCCc2cccc3ncsc23)C[C@@H]2CN(c3ccccc3F)CCN12.O=C1[C@@H](CCCc2cccc3ncsc23)C[C@H]2CN(c3ccccc3F)CCN12.O=C1[C@H](CCCc2cccc3ncsc23)C[C@@H]2CN(c3ccccc3F)CCN12.O=C1[C@H](CCCc2cccc3ncsc23)C[C@H]2CN(c3ccccc3F)CCN12
InChIInChI=1S/C23H25FN4O.5C23H24FN3OS.C23H27N5O.C22H26F2N4O2.C22H25F2N3O2.C22H26N6O/c24-20-8-1-2-9-21(20)26-13-14-28-19(16-26)15-17(23(28)29)5-3-6-18-7-4-10-22-25-11-12-27(18)22;5*24-19-8-1-2-10-21(19)26-11-12-27-18(14-26)13-17(23(27)28)7-3-5-16-6-4-9-20-22(16)29-15-25-20;1-17-8-9-21(25-15-17)26-12-13-28-20(16-26)14-18(23(28)29)4-2-5-19-6-3-7-22-24-10-11-27(19)22;1-15-3-4-19(26-13-15)27-9-10-28-18(14-27)11-16(21(28)29)5-7-22(23,24)17-6-8-25-20(12-17)30-2;1-14-2-7-21(25-12-14)26-8-9-27-17(13-26)10-16(22(27)29)4-6-20(28)15-3-5-18(23)19(24)11-15;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/h1-2,4,7-12,17,19H,3,5-6,13-16H2;5*1-2,4,6,8-10,15,17-18H,3,5,7,11-14H2;3,6-11,15,18,20H,2,4-5,12-14,16H2,1H3;3-4,6,8,12-13,16,18H,5,7,9-11,14H2,1-2H3;2-3,5,7,11-12,16-17,20,28H,4,6,8-10,13H2,1H3;3,6-9,13,15,17,19H,2,4-5,10-12,14H2,1H3/t17-,19-;2*17-,18+;2*17-,18-;;18-,20-;16-,18-;16-,17-,20?;17-,19-/m01010.0000/s1
InChIKeyKQFWNNAULCSYFM-VPCHNILKSA-N
XLogP38.22
TPSA458.65 Ų
H-Bond Donors1
H-Bond Acceptors44
Rotatable Bonds51
Heavy Atoms291
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004038.05
LogP ≤ 538.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1044

Analyze (7S,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3,3-difluoro-3-(2-methoxy-4-pyridinyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-fluorophenyl)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-2-(5-methyl-2-pyridinyl)-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;7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

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What is the IUPAC name of (7S,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3,3-difluoro-3-(2-methoxy-4-pyridinyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-fluorophenyl)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-2-(5-methyl-2-pyridinyl)-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;7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of (7S,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3,3-difluoro-3-(2-methoxy-4-pyridinyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-fluorophenyl)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-2-(5-methyl-2-pyridinyl)-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;7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 159208912) is (7S,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3,3-difluoro-3-(2-methoxy-4-pyridinyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-fluorophenyl)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-2-(5-methyl-2-pyridinyl)-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;7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for (7S,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3,3-difluoro-3-(2-methoxy-4-pyridinyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-fluorophenyl)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-2-(5-methyl-2-pyridinyl)-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;7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for (7S,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3,3-difluoro-3-(2-methoxy-4-pyridinyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-fluorophenyl)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-2-(5-methyl-2-pyridinyl)-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;7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is COc1cc(C(F)(F)CC[C@H]2C[C@H]3CN(c4ccc(C)cn4)CCN3C2=O)ccn1.Cc1ccc(N2CCN3C(=O)[C@@H](CCC(O)c4ccc(F)c(F)c4)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5nccn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.O=C1C(CCCc2cccc3ncsc23)CC2CN(c3ccccc3F)CCN12.O=C1[C@@H](CCCc2cccc3nccn23)C[C@H]2CN(c3ccccc3F)CCN12.O=C1[C@@H](CCCc2cccc3ncsc23)C[C@@H]2CN(c3ccccc3F)CCN12.O=C1[C@@H](CCCc2cccc3ncsc23)C[C@H]2CN(c3ccccc3F)CCN12.O=C1[C@H](CCCc2cccc3ncsc23)C[C@@H]2CN(c3ccccc3F)CCN12.O=C1[C@H](CCCc2cccc3ncsc23)C[C@H]2CN(c3ccccc3F)CCN12.
What is the InChIKey of (7S,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3,3-difluoro-3-(2-methoxy-4-pyridinyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-fluorophenyl)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-2-(5-methyl-2-pyridinyl)-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;7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is KQFWNNAULCSYFM-VPCHNILKSA-N. The full InChI is InChI=1S/C23H25FN4O.5C23H24FN3OS.C23H27N5O.C22H26F2N4O2.C22H25F2N3O2.C22H26N6O/c24-20-8-1-2-9-21(20)26-13-14-28-19(16-26)15-17(23(28)29)5-3-6-18-7-4-10-22-25-11-12-27(18)22;5*24-19-8-1-2-10-21(19)26-11-12-27-18(14-26)13-17(23(27)28)7-3-5-16-6-4-9-20-22(16)29-15-25-20;1-17-8-9-21(25-15-17)26-12-13-28-20(16-26)14-18(23(28)29)4-2-5-19-6-3-7-22-24-10-11-27(19)22;1-15-3-4-19(26-13-15)27-9-10-28-18(14-27)11-16(21(28)29)5-7-22(23,24)17-6-8-25-20(12-17)30-2;1-14-2-7-21(25-12-14)26-8-9-27-17(13-26)10-16(22(27)29)4-6-20(28)15-3-5-18(23)19(24)11-15;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/h1-2,4,7-12,17,19H,3,5-6,13-16H2;5*1-2,4,6,8-10,15,17-18H,3,5,7,11-14H2;3,6-11,15,18,20H,2,4-5,12-14,16H2,1H3;3-4,6,8,12-13,16,18H,5,7,9-11,14H2,1-2H3;2-3,5,7,11-12,16-17,20,28H,4,6,8-10,13H2,1H3;3,6-9,13,15,17,19H,2,4-5,10-12,14H2,1H3/t17-,19-;2*17-,18+;2*17-,18-;;18-,20-;16-,18-;16-,17-,20?;17-,19-/m01010.0000/s1.
What are the key properties of (7S,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3,3-difluoro-3-(2-methoxy-4-pyridinyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-fluorophenyl)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-2-(5-methyl-2-pyridinyl)-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;7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
(7S,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3,3-difluoro-3-(2-methoxy-4-pyridinyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-fluorophenyl)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-2-(5-methyl-2-pyridinyl)-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;7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 4038.05 g/mol, XLogP of 38.22, 51 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3,3-difluoro-3-(2-methoxy-4-pyridinyl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(2-fluorophenyl)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-5-ylpropyl)-2-(5-methyl-2-pyridinyl)-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;7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 159208912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).