(7S,8aS)-2-(5-fluoro-2-pyridinyl)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-prop-2-ynyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylprop-2-ynyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-fluoropyridine;4-bromopyrazolo[1,5-a]pyridine

C78H86Br2F2N18O4 — CID 159594376

About (7S,8aS)-2-(5-fluoro-2-pyridinyl)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-prop-2-ynyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylprop-2-ynyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-fluoropyridine;4-bromopyrazolo[1,5-a]pyridine

(7S,8aS)-2-(5-fluoro-2-pyridinyl)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-prop-2-ynyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylprop-2-ynyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-fluoropyridine;4-bromopyrazolo[1,5-a]pyridine (PubChem CID 159594376) has the molecular formula C78H86Br2F2N18O4 and a molecular weight of 1537.47 g/mol. Its IUPAC name is (7S,8aS)-2-(5-fluoro-2-pyridinyl)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-prop-2-ynyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylprop-2-ynyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-fluoropyridine;4-bromopyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: (7S,8aS)-2-(5-fluoro-2-pyridinyl)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-prop-2-ynyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylprop-2-ynyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-fluoropyridine;4-bromopyrazolo[1,5-a]pyridine
• PubChem CID: 159594376
• Molecular Formula: C78H86Br2F2N18O4
• Molecular Weight: 1537.47 g/mol
• Exact Mass: 1534.54
• IUPAC Name: (7S,8aS)-2-(5-fluoro-2-pyridinyl)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-prop-2-ynyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylprop-2-ynyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-fluoropyridine;4-bromopyrazolo[1,5-a]pyridine
• SMILES: Brc1cccn2nccc12.C#CC[C@H]1C[C@H]2CNCCN2C1=O.Fc1ccc(Br)nc1.O=C1[C@@H](CC#Cc2cccn3nccc23)C[C@H]2CNCCN12.O=C1[C@@H](CCCc2cccn3nccc23)C[C@H]2CN(c3ccc(F)cn3)CCN12.O=C1[C@@H](CCCc2cccn3nccc23)C[C@H]2CNCCN12
• InChI: InChI=1S/C22H24FN5O.C17H22N4O.C17H18N4O.C10H14N2O.C7H5BrN2.C5H3BrFN/c23-18-6-7-21(24-14-18)26-11-12-27-19(15-26)13-17(22(27)29)4-1-3-16-5-2-10-28-20(16)8-9-25-28;2*22-17-14(11-15-12-18-8-10-20(15)17)4-1-3-13-5-2-9-21-16(13)6-7-19-21;1-2-3-8-6-9-7-11-4-5-12(9)10(8)13;8-6-2-1-5-10-7(6)3-4-9-10;6-5-2-1-4(7)3-8-5/h2,5-10,14,17,19H,1,3-4,11-13,15H2;2,5-7,9,14-15,18H,1,3-4,8,10-12H2;2,5-7,9,14-15,18H,4,8,10-12H2;1,8-9,11H,3-7H2;1-5H;1-3H/t17-,19-;2*14-,15-;8-,9-;;/m0000../s1
• InChIKey: MKQKQXRQWCLYJF-HIPDPEJVSA-N
• XLogP: 9.21
• TPSA: 215.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1537.47
LogP ≤ 5	9.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7S,8aS)-2-(5-fluoro-2-pyridinyl)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-prop-2-ynyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylprop-2-ynyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-fluoropyridine;4-bromopyrazolo[1,5-a]pyridine?

The IUPAC name of (7S,8aS)-2-(5-fluoro-2-pyridinyl)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-prop-2-ynyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylprop-2-ynyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-fluoropyridine;4-bromopyrazolo[1,5-a]pyridine (CID 159594376) is (7S,8aS)-2-(5-fluoro-2-pyridinyl)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-prop-2-ynyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylprop-2-ynyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-fluoropyridine;4-bromopyrazolo[1,5-a]pyridine.

What is the SMILES notation for (7S,8aS)-2-(5-fluoro-2-pyridinyl)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-prop-2-ynyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylprop-2-ynyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-fluoropyridine;4-bromopyrazolo[1,5-a]pyridine?

The canonical SMILES for (7S,8aS)-2-(5-fluoro-2-pyridinyl)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-prop-2-ynyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylprop-2-ynyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-fluoropyridine;4-bromopyrazolo[1,5-a]pyridine is Brc1cccn2nccc12.C#CC[C@H]1C[C@H]2CNCCN2C1=O.Fc1ccc(Br)nc1.O=C1[C@@H](CC#Cc2cccn3nccc23)C[C@H]2CNCCN12.O=C1[C@@H](CCCc2cccn3nccc23)C[C@H]2CN(c3ccc(F)cn3)CCN12.O=C1[C@@H](CCCc2cccn3nccc23)C[C@H]2CNCCN12.

What is the InChIKey of (7S,8aS)-2-(5-fluoro-2-pyridinyl)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-prop-2-ynyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylprop-2-ynyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-fluoropyridine;4-bromopyrazolo[1,5-a]pyridine?

The InChIKey is MKQKQXRQWCLYJF-HIPDPEJVSA-N. The full InChI is InChI=1S/C22H24FN5O.C17H22N4O.C17H18N4O.C10H14N2O.C7H5BrN2.C5H3BrFN/c23-18-6-7-21(24-14-18)26-11-12-27-19(15-26)13-17(22(27)29)4-1-3-16-5-2-10-28-20(16)8-9-25-28;2*22-17-14(11-15-12-18-8-10-20(15)17)4-1-3-13-5-2-9-21-16(13)6-7-19-21;1-2-3-8-6-9-7-11-4-5-12(9)10(8)13;8-6-2-1-5-10-7(6)3-4-9-10;6-5-2-1-4(7)3-8-5/h2,5-10,14,17,19H,1,3-4,11-13,15H2;2,5-7,9,14-15,18H,1,3-4,8,10-12H2;2,5-7,9,14-15,18H,4,8,10-12H2;1,8-9,11H,3-7H2;1-5H;1-3H/t17-,19-;2*14-,15-;8-,9-;;/m0000../s1.

What are the key properties of (7S,8aS)-2-(5-fluoro-2-pyridinyl)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-prop-2-ynyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylprop-2-ynyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-fluoropyridine;4-bromopyrazolo[1,5-a]pyridine?

(7S,8aS)-2-(5-fluoro-2-pyridinyl)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-prop-2-ynyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylprop-2-ynyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-fluoropyridine;4-bromopyrazolo[1,5-a]pyridine has a molecular weight of 1537.47 g/mol, XLogP of 9.21, 11 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (7S,8aS)-2-(5-fluoro-2-pyridinyl)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-prop-2-ynyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-(3-pyrazolo[1,5-a]pyridin-4-ylprop-2-ynyl)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-fluoropyridine;4-bromopyrazolo[1,5-a]pyridine is sourced from PubChem (CID 159594376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).