potassium;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-iodopyridine;2-bromo-5-(3,3,3-trifluoropropyl)pyridine;trifluoro(propyl)boranuide

C56H65BBr2F9IKN13O2 — CID 157177692

About potassium;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-iodopyridine;2-bromo-5-(3,3,3-trifluoropropyl)pyridine;trifluoro(propyl)boranuide

potassium;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-iodopyridine;2-bromo-5-(3,3,3-trifluoropropyl)pyridine;trifluoro(propyl)boranuide (PubChem CID 157177692) has the molecular formula C56H65BBr2F9IKN13O2 and a molecular weight of 1459.83 g/mol. Its IUPAC name is potassium;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-iodopyridine;2-bromo-5-(3,3,3-trifluoropropyl)pyridine;trifluoro(propyl)boranuide.

Molecular Properties

• Compound Name: potassium;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-iodopyridine;2-bromo-5-(3,3,3-trifluoropropyl)pyridine;trifluoro(propyl)boranuide
• PubChem CID: 157177692
• Molecular Formula: C56H65BBr2F9IKN13O2
• Molecular Weight: 1459.83 g/mol
• Exact Mass: 1457.24
• IUPAC Name: potassium;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-iodopyridine;2-bromo-5-(3,3,3-trifluoropropyl)pyridine;trifluoro(propyl)boranuide
• SMILES: Brc1ccc(I)cn1.CCC[B-](F)(F)F.FC(F)(F)CCc1ccc(Br)nc1.O=C1[C@@H](CCCc2cccn3ncnc23)C[C@H]2CN(c3ccc(CCC(F)(F)F)cn3)CCN12.O=C1[C@@H](CCCc2cccn3ncnc23)C[C@H]2CNCCN12.[K+]
• InChI: InChI=1S/C24H27F3N6O.C16H21N5O.C8H7BrF3N.C5H3BrIN.C3H7BF3.K/c25-24(26,27)9-8-17-6-7-21(28-14-17)31-11-12-32-20(15-31)13-19(23(32)34)4-1-3-18-5-2-10-33-22(18)29-16-30-33;22-16-13(9-14-10-17-6-8-20(14)16)4-1-3-12-5-2-7-21-15(12)18-11-19-21;9-7-2-1-6(5-13-7)3-4-8(10,11)12;6-5-2-1-4(7)3-8-5;1-2-3-4(5,6)7;/h2,5-7,10,14,16,19-20H,1,3-4,8-9,11-13,15H2;2,5,7,11,13-14,17H,1,3-4,6,8-10H2;1-2,5H,3-4H2;1-3H;2-3H2,1H3;/q;;;;-1;+1/t19-,20-;13-,14-;;;;/m00..../s1
• InChIKey: XOOBEEQVAYDRPX-HLUCTAHVSA-N
• XLogP: 9.59
• TPSA: 154.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1459.83
LogP ≤ 5	9.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-iodopyridine;2-bromo-5-(3,3,3-trifluoropropyl)pyridine;trifluoro(propyl)boranuide?

The IUPAC name of potassium;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-iodopyridine;2-bromo-5-(3,3,3-trifluoropropyl)pyridine;trifluoro(propyl)boranuide (CID 157177692) is potassium;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-iodopyridine;2-bromo-5-(3,3,3-trifluoropropyl)pyridine;trifluoro(propyl)boranuide.

What is the SMILES notation for potassium;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-iodopyridine;2-bromo-5-(3,3,3-trifluoropropyl)pyridine;trifluoro(propyl)boranuide?

The canonical SMILES for potassium;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-iodopyridine;2-bromo-5-(3,3,3-trifluoropropyl)pyridine;trifluoro(propyl)boranuide is Brc1ccc(I)cn1.CCC[B-](F)(F)F.FC(F)(F)CCc1ccc(Br)nc1.O=C1[C@@H](CCCc2cccn3ncnc23)C[C@H]2CN(c3ccc(CCC(F)(F)F)cn3)CCN12.O=C1[C@@H](CCCc2cccn3ncnc23)C[C@H]2CNCCN12.[K+].

What is the InChIKey of potassium;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-iodopyridine;2-bromo-5-(3,3,3-trifluoropropyl)pyridine;trifluoro(propyl)boranuide?

The InChIKey is XOOBEEQVAYDRPX-HLUCTAHVSA-N. The full InChI is InChI=1S/C24H27F3N6O.C16H21N5O.C8H7BrF3N.C5H3BrIN.C3H7BF3.K/c25-24(26,27)9-8-17-6-7-21(28-14-17)31-11-12-32-20(15-31)13-19(23(32)34)4-1-3-18-5-2-10-33-22(18)29-16-30-33;22-16-13(9-14-10-17-6-8-20(14)16)4-1-3-12-5-2-7-21-15(12)18-11-19-21;9-7-2-1-6(5-13-7)3-4-8(10,11)12;6-5-2-1-4(7)3-8-5;1-2-3-4(5,6)7;/h2,5-7,10,14,16,19-20H,1,3-4,8-9,11-13,15H2;2,5,7,11,13-14,17H,1,3-4,6,8-10H2;1-2,5H,3-4H2;1-3H;2-3H2,1H3;/q;;;;-1;+1/t19-,20-;13-,14-;;;;/m00..../s1.

What are the key properties of potassium;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-iodopyridine;2-bromo-5-(3,3,3-trifluoropropyl)pyridine;trifluoro(propyl)boranuide?

potassium;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-iodopyridine;2-bromo-5-(3,3,3-trifluoropropyl)pyridine;trifluoro(propyl)boranuide has a molecular weight of 1459.83 g/mol, XLogP of 9.59, 15 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-iodopyridine;2-bromo-5-(3,3,3-trifluoropropyl)pyridine;trifluoro(propyl)boranuide is sourced from PubChem (CID 157177692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).