6-fluoro-7-iodo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide;nonahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107-tetrapentacontayne

C154H40F2IN15O2 — CID 159094717

About 6-fluoro-7-iodo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide;nonahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107-tetrapentacontayne

6-fluoro-7-iodo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide;nonahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107-tetrapentacontayne (PubChem CID 159094717) has the molecular formula C154H40F2IN15O2 and a molecular weight of 2297.02 g/mol. Its IUPAC name is 6-fluoro-7-iodo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide;nonahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107-tetrapentacontayne.

Molecular Properties

• Compound Name: 6-fluoro-7-iodo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide;nonahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107-tetrapentacontayne
• PubChem CID: 159094717
• Molecular Formula: C154H40F2IN15O2
• Molecular Weight: 2297.02 g/mol
• Exact Mass: 2295.25
• IUPAC Name: 6-fluoro-7-iodo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide;nonahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107-tetrapentacontayne
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.Cc1nccc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1.Cc1nccc(-c2cnn(C)c2C(N)=O)n1.Fc1cn2nc(-c3ccccc3)nc2cc1I
• InChI: InChI=1S/C109H4.C23H18FN7O.C12H7FIN3.C10H11N5O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-14-25-9-8-19(27-14)17-12-26-30(2)22(17)20(32)10-16-11-21-28-23(15-6-4-3-5-7-15)29-31(21)13-18(16)24;13-9-7-17-11(6-10(9)14)15-12(16-17)8-4-2-1-3-5-8;1-6-12-4-3-8(14-6)7-5-13-15(2)9(7)10(11)16/h1H,2H3;3-9,11-13H,10H2,1-2H3;1-7H;3-5H,1-2H3,(H2,11,16)
• InChIKey: KCNDHBHNBWFRFI-UHFFFAOYSA-N
• XLogP: 7.70
• TPSA: 207.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2297.02
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-iodo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide;nonahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107-tetrapentacontayne?

The IUPAC name of 6-fluoro-7-iodo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide;nonahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107-tetrapentacontayne (CID 159094717) is 6-fluoro-7-iodo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide;nonahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107-tetrapentacontayne.

What is the SMILES notation for 6-fluoro-7-iodo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide;nonahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107-tetrapentacontayne?

The canonical SMILES for 6-fluoro-7-iodo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide;nonahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107-tetrapentacontayne is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.Cc1nccc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1.Cc1nccc(-c2cnn(C)c2C(N)=O)n1.Fc1cn2nc(-c3ccccc3)nc2cc1I.

What is the InChIKey of 6-fluoro-7-iodo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide;nonahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107-tetrapentacontayne?

The InChIKey is KCNDHBHNBWFRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H4.C23H18FN7O.C12H7FIN3.C10H11N5O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-14-25-9-8-19(27-14)17-12-26-30(2)22(17)20(32)10-16-11-21-28-23(15-6-4-3-5-7-15)29-31(21)13-18(16)24;13-9-7-17-11(6-10(9)14)15-12(16-17)8-4-2-1-3-5-8;1-6-12-4-3-8(14-6)7-5-13-15(2)9(7)10(11)16/h1H,2H3;3-9,11-13H,10H2,1-2H3;1-7H;3-5H,1-2H3,(H2,11,16).

What are the key properties of 6-fluoro-7-iodo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide;nonahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107-tetrapentacontayne?

6-fluoro-7-iodo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide;nonahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107-tetrapentacontayne has a molecular weight of 2297.02 g/mol, XLogP of 7.70, 8 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-iodo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide;nonahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107-tetrapentacontayne is sourced from PubChem (CID 159094717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).