2-[[8-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

C26H24ClF2N5 — CID 161491075

About 2-[[8-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

2-[[8-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 161491075) has the molecular formula C26H24ClF2N5 and a molecular weight of 479.96 g/mol. Its IUPAC name is 2-[[8-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 2-[[8-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 161491075
• Molecular Formula: C26H24ClF2N5
• Molecular Weight: 479.96 g/mol
• Exact Mass: 479.17
• IUPAC Name: 2-[[8-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: Cc1cc(-c2ccc(F)c(F)c2)c2nc(CC3CC4CCC(C3)N4c3ccnc(Cl)c3)nn2c1
• InChI: InChI=1S/C26H24ClF2N5/c1-15-8-21(17-2-5-22(28)23(29)12-17)26-31-25(32-33(26)14-15)11-16-9-18-3-4-19(10-16)34(18)20-6-7-30-24(27)13-20/h2,5-8,12-14,16,18-19H,3-4,9-11H2,1H3
• InChIKey: WFPPFMMFTXCCLN-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 46.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.96
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 2-[[8-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 161491075) is 2-[[8-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 2-[[8-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 2-[[8-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2ccc(F)c(F)c2)c2nc(CC3CC4CCC(C3)N4c3ccnc(Cl)c3)nn2c1.

What is the InChIKey of 2-[[8-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is WFPPFMMFTXCCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF2N5/c1-15-8-21(17-2-5-22(28)23(29)12-17)26-31-25(32-33(26)14-15)11-16-9-18-3-4-19(10-16)34(18)20-6-7-30-24(27)13-20/h2,5-8,12-14,16,18-19H,3-4,9-11H2,1H3.

What are the key properties of 2-[[8-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?

2-[[8-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 479.96 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[8-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 161491075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).