7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine

C26H19FN6O — CID 137135651

About 7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine

7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 137135651) has the molecular formula C26H19FN6O and a molecular weight of 450.48 g/mol. Its IUPAC name is 7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137135651
• Molecular Formula: C26H19FN6O
• Molecular Weight: 450.48 g/mol
• Exact Mass: 450.16
• IUPAC Name: 7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
• SMILES: COc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(C)cc(F)c6)c5[nH]4)c3c2)c1
• InChI: InChI=1S/C26H19FN6O/c1-14-7-16(9-18(27)8-14)20-5-6-29-25-23(20)30-26(31-25)24-21-11-15(3-4-22(21)32-33-24)17-10-19(34-2)13-28-12-17/h3-13H,1-2H3,(H,32,33)(H,29,30,31)
• InChIKey: QXYIJOJUBDRDNZ-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 92.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.48
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (CID 137135651) is 7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is COc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(C)cc(F)c6)c5[nH]4)c3c2)c1.

What is the InChIKey of 7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?

The InChIKey is QXYIJOJUBDRDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6O/c1-14-7-16(9-18(27)8-14)20-5-6-29-25-23(20)30-26(31-25)24-21-11-15(3-4-22(21)32-33-24)17-10-19(34-2)13-28-12-17/h3-13H,1-2H3,(H,32,33)(H,29,30,31).

What are the key properties of 7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?

7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 450.48 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137135651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).