7-[2-(4-fluoro-3-methylphenyl)-5-[2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

C36H25FN8 — CID 155371067

About 7-[2-(4-fluoro-3-methylphenyl)-5-[2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

7-[2-(4-fluoro-3-methylphenyl)-5-[2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 155371067) has the molecular formula C36H25FN8 and a molecular weight of 588.65 g/mol. Its IUPAC name is 7-[2-(4-fluoro-3-methylphenyl)-5-[2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 7-[2-(4-fluoro-3-methylphenyl)-5-[2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 155371067
• Molecular Formula: C36H25FN8
• Molecular Weight: 588.65 g/mol
• Exact Mass: 588.22
• IUPAC Name: 7-[2-(4-fluoro-3-methylphenyl)-5-[2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: Cc1cc(-c2ncc(-c3ccc(-c4ncccc4-c4ccn5ncnc5c4)cc3C)cc2-c2ccn3ncnc3c2)ccc1F
• InChI: InChI=1S/C36H25FN8/c1-22-14-26(35-30(4-3-11-38-35)24-9-12-44-33(17-24)40-20-42-44)5-7-29(22)28-16-31(25-10-13-45-34(18-25)41-21-43-45)36(39-19-28)27-6-8-32(37)23(2)15-27/h3-21H,1-2H3
• InChIKey: PVZISTAIXOVMJJ-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 86.16 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.65
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-fluoro-3-methylphenyl)-5-[2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 7-[2-(4-fluoro-3-methylphenyl)-5-[2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 155371067) is 7-[2-(4-fluoro-3-methylphenyl)-5-[2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 7-[2-(4-fluoro-3-methylphenyl)-5-[2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 7-[2-(4-fluoro-3-methylphenyl)-5-[2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2ncc(-c3ccc(-c4ncccc4-c4ccn5ncnc5c4)cc3C)cc2-c2ccn3ncnc3c2)ccc1F.

What is the InChIKey of 7-[2-(4-fluoro-3-methylphenyl)-5-[2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is PVZISTAIXOVMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25FN8/c1-22-14-26(35-30(4-3-11-38-35)24-9-12-44-33(17-24)40-20-42-44)5-7-29(22)28-16-31(25-10-13-45-34(18-25)41-21-43-45)36(39-19-28)27-6-8-32(37)23(2)15-27/h3-21H,1-2H3.

What are the key properties of 7-[2-(4-fluoro-3-methylphenyl)-5-[2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?

7-[2-(4-fluoro-3-methylphenyl)-5-[2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 588.65 g/mol, XLogP of 7.65, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(4-fluoro-3-methylphenyl)-5-[2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 155371067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).