(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;(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)-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;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);7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C159H173F5N28O7S4 — CID 159177761

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;(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)-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;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);7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.O=C1C(CCCc2cccc3ncsc23)CC2CN(c3ccccc3F)CCN12.O=C1C(CCCc2cccc3ncsc23)C[C@H]2CN(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
InChIInChI=1S/C23H25FN4O.4C23H24FN3OS.2C22H26N6O/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;4*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;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/h1-2,4,7-12,17,19H,3,5-6,13-16H2;4*1-2,4,6,8-10,15,17-18H,3,5,7,11-14H2;2*3,6-9,13,15,17,19H,2,4-5,10-12,14H2,1H3/t17-,19-;17?,18-;17-,18+;17-,18-;;2*17-,19-/m0000.00/s1
InChIKeyKMMNOLZTUMHIPO-AHZZSDGQSA-N
MW2811.58 g/mol
LogP26.50
Rot. Bonds35

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;(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)-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;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);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;(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)-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;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);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 159177761) has the molecular formula C159H173F5N28O7S4 and a molecular weight of 2811.58 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;(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)-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;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);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;(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)-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;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);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 CID159177761
Molecular FormulaC159H173F5N28O7S4
Molecular Weight2811.58 g/mol
Exact Mass2809.28
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;(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)-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;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);7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.O=C1C(CCCc2cccc3ncsc23)CC2CN(c3ccccc3F)CCN12.O=C1C(CCCc2cccc3ncsc23)C[C@H]2CN(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
InChIInChI=1S/C23H25FN4O.4C23H24FN3OS.2C22H26N6O/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;4*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;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/h1-2,4,7-12,17,19H,3,5-6,13-16H2;4*1-2,4,6,8-10,15,17-18H,3,5,7,11-14H2;2*3,6-9,13,15,17,19H,2,4-5,10-12,14H2,1H3/t17-,19-;17?,18-;17-,18+;17-,18-;;2*17-,19-/m0000.00/s1
InChIKeyKMMNOLZTUMHIPO-AHZZSDGQSA-N
XLogP26.50
TPSA319.87 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds35
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002811.58
LogP ≤ 526.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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;(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)-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;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);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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Frequently Asked Questions

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;(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)-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;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);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;(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)-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;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);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 159177761) 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;(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)-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;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);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;(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)-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;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);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;(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)-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;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);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 Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncnn45)C[C@H]3C2)nc1.O=C1C(CCCc2cccc3ncsc23)CC2CN(c3ccccc3F)CCN12.O=C1C(CCCc2cccc3ncsc23)C[C@H]2CN(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.
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;(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)-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;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);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 KMMNOLZTUMHIPO-AHZZSDGQSA-N. The full InChI is InChI=1S/C23H25FN4O.4C23H24FN3OS.2C22H26N6O/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;4*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;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/h1-2,4,7-12,17,19H,3,5-6,13-16H2;4*1-2,4,6,8-10,15,17-18H,3,5,7,11-14H2;2*3,6-9,13,15,17,19H,2,4-5,10-12,14H2,1H3/t17-,19-;17?,18-;17-,18+;17-,18-;;2*17-,19-/m0000.00/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;(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)-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;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);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;(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)-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;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);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 2811.58 g/mol, XLogP of 26.50, 35 rotatable bonds, 0 hydrogen bond donors, and 32 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;(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)-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;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);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 159177761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).