(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-chloro-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;4-[(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-8-ylpropyl)-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,5-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-(tetrazolo[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[4,3-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C157H177ClN36O7S3 — CID 158760866

About (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-chloro-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;4-[(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-8-ylpropyl)-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,5-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-(tetrazolo[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[4,3-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-(2-chloro-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;4-[(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-8-ylpropyl)-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,5-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-(tetrazolo[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[4,3-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 158760866) has the molecular formula C157H177ClN36O7S3 and a molecular weight of 2812.04 g/mol. Its IUPAC name is (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-chloro-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;4-[(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-8-ylpropyl)-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,5-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-(tetrazolo[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[4,3-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-(2-chloro-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;4-[(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-8-ylpropyl)-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,5-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-(tetrazolo[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[4,3-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
• PubChem CID: 158760866
• Molecular Formula: C157H177ClN36O7S3
• Molecular Weight: 2812.04 g/mol
• Exact Mass: 2809.35
• IUPAC Name: (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-chloro-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;4-[(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-8-ylpropyl)-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,5-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-(tetrazolo[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[4,3-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
• SMILES: Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5cncn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncsc45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5nncn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5nnnn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccn5ccnc45)C[C@H]3C2)nc1.N#Cc1cc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncsc45)C[C@H]3C2)ccn1.O=C1[C@@H](CCCc2cccc3ncsc23)C[C@H]2CN(c3ccnc(Cl)c3)CCN12
• InChI: InChI=1S/C23H23N5OS.2C23H27N5O.C23H26N4OS.C22H23ClN4OS.C22H26N6O.C21H25N7O/c24-13-18-12-19(7-8-25-18)27-9-10-28-20(14-27)11-17(23(28)29)5-1-3-16-4-2-6-21-22(16)30-15-26-21;1-17-7-8-21(25-15-17)27-12-13-28-20(16-27)14-19(23(28)29)5-2-4-18-6-3-10-26-11-9-24-22(18)26;1-17-8-9-22(25-13-17)26-10-11-27-21(15-26)12-18(23(27)29)4-2-5-19-6-3-7-20-14-24-16-28(19)20;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;23-20-12-17(7-8-24-20)26-9-10-27-18(13-26)11-16(22(27)28)5-1-3-15-4-2-6-19-21(15)29-14-25-19;1-16-8-9-20(23-13-16)26-10-11-27-19(14-26)12-17(22(27)29)4-2-5-18-6-3-7-21-25-24-15-28(18)21;1-15-8-9-19(22-13-15)26-10-11-27-18(14-26)12-16(21(27)29)4-2-5-17-6-3-7-20-23-24-25-28(17)20/h2,4,6-8,12,15,17,20H,1,3,5,9-11,14H2;3,6-11,15,19-20H,2,4-5,12-14,16H2,1H3;3,6-9,13-14,16,18,21H,2,4-5,10-12,15H2,1H3;3,5,7-9,13,15,18-19H,2,4,6,10-12,14H2,1H3;2,4,6-8,12,14,16,18H,1,3,5,9-11,13H2;3,6-9,13,15,17,19H,2,4-5,10-12,14H2,1H3;3,6-9,13,16,18H,2,4-5,10-12,14H2,1H3/t17-,20-;19-,20-;18-,21-;18-,19-;16-,18-;17-,19-;16-,18-/m0000000/s1
• InChIKey: IOQNNDFWRROKRU-DRLAIQAXSA-N
• XLogP: 22.66
• TPSA: 425.41 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 35
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2812.04
LogP ≤ 5	22.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-chloro-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;4-[(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-8-ylpropyl)-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,5-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-(tetrazolo[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[4,3-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-(2-chloro-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;4-[(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-8-ylpropyl)-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,5-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-(tetrazolo[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[4,3-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 158760866) is (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-chloro-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;4-[(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-8-ylpropyl)-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,5-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-(tetrazolo[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[4,3-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-(2-chloro-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;4-[(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-8-ylpropyl)-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,5-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-(tetrazolo[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[4,3-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-(2-chloro-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;4-[(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-8-ylpropyl)-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,5-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-(tetrazolo[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[4,3-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5cncn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncsc45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5nncn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5nnnn45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccn5ccnc45)C[C@H]3C2)nc1.N#Cc1cc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncsc45)C[C@H]3C2)ccn1.O=C1[C@@H](CCCc2cccc3ncsc23)C[C@H]2CN(c3ccnc(Cl)c3)CCN12.

What is the InChIKey of (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-chloro-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;4-[(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-8-ylpropyl)-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,5-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-(tetrazolo[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[4,3-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?

The InChIKey is IOQNNDFWRROKRU-DRLAIQAXSA-N. The full InChI is InChI=1S/C23H23N5OS.2C23H27N5O.C23H26N4OS.C22H23ClN4OS.C22H26N6O.C21H25N7O/c24-13-18-12-19(7-8-25-18)27-9-10-28-20(14-27)11-17(23(28)29)5-1-3-16-4-2-6-21-22(16)30-15-26-21;1-17-7-8-21(25-15-17)27-12-13-28-20(16-27)14-19(23(28)29)5-2-4-18-6-3-10-26-11-9-24-22(18)26;1-17-8-9-22(25-13-17)26-10-11-27-21(15-26)12-18(23(27)29)4-2-5-19-6-3-7-20-14-24-16-28(19)20;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;23-20-12-17(7-8-24-20)26-9-10-27-18(13-26)11-16(22(27)28)5-1-3-15-4-2-6-19-21(15)29-14-25-19;1-16-8-9-20(23-13-16)26-10-11-27-19(14-26)12-17(22(27)29)4-2-5-18-6-3-7-21-25-24-15-28(18)21;1-15-8-9-19(22-13-15)26-10-11-27-18(14-26)12-16(21(27)29)4-2-5-17-6-3-7-20-23-24-25-28(17)20/h2,4,6-8,12,15,17,20H,1,3,5,9-11,14H2;3,6-11,15,19-20H,2,4-5,12-14,16H2,1H3;3,6-9,13-14,16,18,21H,2,4-5,10-12,15H2,1H3;3,5,7-9,13,15,18-19H,2,4,6,10-12,14H2,1H3;2,4,6-8,12,14,16,18H,1,3,5,9-11,13H2;3,6-9,13,15,17,19H,2,4-5,10-12,14H2,1H3;3,6-9,13,16,18H,2,4-5,10-12,14H2,1H3/t17-,20-;19-,20-;18-,21-;18-,19-;16-,18-;17-,19-;16-,18-/m0000000/s1.

What are the key properties of (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-chloro-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;4-[(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-8-ylpropyl)-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,5-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-(tetrazolo[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[4,3-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-(2-chloro-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;4-[(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-8-ylpropyl)-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,5-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-(tetrazolo[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[4,3-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 2812.04 g/mol, XLogP of 22.66, 35 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-chloro-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;4-[(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile;(7S,8aS)-7-(3-imidazo[1,2-a]pyridin-8-ylpropyl)-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-imidazo[1,5-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-(tetrazolo[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[4,3-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 158760866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).