(7S,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C63H69F3N18O3 — CID 157360916

About (7S,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

(7S,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 157360916) has the molecular formula C63H69F3N18O3 and a molecular weight of 1183.36 g/mol. Its IUPAC name is (7S,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

• Compound Name: (7S,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
• PubChem CID: 157360916
• Molecular Formula: C63H69F3N18O3
• Molecular Weight: 1183.36 g/mol
• Exact Mass: 1182.58
• IUPAC Name: (7S,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
• SMILES: O=C1[C@@H](CCCc2cccn3ncnc23)C[C@@H]2CN(c3ccc(F)cn3)CCN12.O=C1[C@H](CCCc2cccn3ncnc23)C[C@@H]2CN(c3ccc(F)cn3)CCN12.O=C1[C@H](CCCc2cccn3ncnc23)C[C@H]2CN(c3ccc(F)cn3)CCN12
• InChI: InChI=1S/3C21H23FN6O/c3*22-17-6-7-19(23-12-17)26-9-10-27-18(13-26)11-16(21(27)29)4-1-3-15-5-2-8-28-20(15)24-14-25-28/h3*2,5-8,12,14,16,18H,1,3-4,9-11,13H2/t2*16-,18+;16-,18-/m101/s1
• InChIKey: BIQAGKCJMWWLQB-AOSDRZJGSA-N
• XLogP: 6.97
• TPSA: 199.89 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1183.36
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (7S,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?

The IUPAC name of (7S,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 157360916) is (7S,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

What is the SMILES notation for (7S,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?

The canonical SMILES for (7S,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C1[C@@H](CCCc2cccn3ncnc23)C[C@@H]2CN(c3ccc(F)cn3)CCN12.O=C1[C@H](CCCc2cccn3ncnc23)C[C@@H]2CN(c3ccc(F)cn3)CCN12.O=C1[C@H](CCCc2cccn3ncnc23)C[C@H]2CN(c3ccc(F)cn3)CCN12.

What is the InChIKey of (7S,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?

The InChIKey is BIQAGKCJMWWLQB-AOSDRZJGSA-N. The full InChI is InChI=1S/3C21H23FN6O/c3*22-17-6-7-19(23-12-17)26-9-10-27-18(13-26)11-16(21(27)29)4-1-3-15-5-2-8-28-20(15)24-14-25-28/h3*2,5-8,12,14,16,18H,1,3-4,9-11,13H2/t2*16-,18+;16-,18-/m101/s1.

What are the key properties of (7S,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?

(7S,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 1183.36 g/mol, XLogP of 6.97, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (7S,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aR)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7R,8aS)-2-(5-fluoro-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 157360916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).