7-(3-fluoro-5-methoxyphenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine

C26H24FN7O2 — CID 137041887

About 7-(3-fluoro-5-methoxyphenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine

7-(3-fluoro-5-methoxyphenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 137041887) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is 7-(3-fluoro-5-methoxyphenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 7-(3-fluoro-5-methoxyphenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137041887
• Molecular Formula: C26H24FN7O2
• Molecular Weight: 485.52 g/mol
• Exact Mass: 485.20
• IUPAC Name: 7-(3-fluoro-5-methoxyphenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine
• SMILES: COc1cc(F)cc(-c2ccnc3nc(-c4cc(-c5cncc(OC6CCNCC6)c5)n[nH]4)[nH]c23)c1
• InChI: InChI=1S/C26H24FN7O2/c1-35-19-9-15(8-17(27)11-19)21-4-7-30-26-24(21)31-25(32-26)23-12-22(33-34-23)16-10-20(14-29-13-16)36-18-2-5-28-6-3-18/h4,7-14,18,28H,2-3,5-6H2,1H3,(H,33,34)(H,30,31,32)
• InChIKey: YMRMBMMESDVZBP-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 113.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.52
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-5-methoxyphenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 7-(3-fluoro-5-methoxyphenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine (CID 137041887) is 7-(3-fluoro-5-methoxyphenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 7-(3-fluoro-5-methoxyphenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 7-(3-fluoro-5-methoxyphenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine is COc1cc(F)cc(-c2ccnc3nc(-c4cc(-c5cncc(OC6CCNCC6)c5)n[nH]4)[nH]c23)c1.

What is the InChIKey of 7-(3-fluoro-5-methoxyphenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine?

The InChIKey is YMRMBMMESDVZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-35-19-9-15(8-17(27)11-19)21-4-7-30-26-24(21)31-25(32-26)23-12-22(33-34-23)16-10-20(14-29-13-16)36-18-2-5-28-6-3-18/h4,7-14,18,28H,2-3,5-6H2,1H3,(H,33,34)(H,30,31,32).

What are the key properties of 7-(3-fluoro-5-methoxyphenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine?

7-(3-fluoro-5-methoxyphenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 485.52 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-fluoro-5-methoxyphenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137041887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).