3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine

C31H22FN7O2 — CID 137041532

About 3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine

3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137041532) has the molecular formula C31H22FN7O2 and a molecular weight of 543.56 g/mol. Its IUPAC name is 3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137041532
• Molecular Formula: C31H22FN7O2
• Molecular Weight: 543.56 g/mol
• Exact Mass: 543.18
• IUPAC Name: 3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: COc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OCc7ccccc7)c6)nc45)[nH]c23)c1
• InChI: InChI=1S/C31H22FN7O2/c1-40-22-12-19(11-21(32)14-22)24-9-10-34-30-27(24)36-31(37-30)29-28-26(38-39-29)8-7-25(35-28)20-13-23(16-33-15-20)41-17-18-5-3-2-4-6-18/h2-16H,17H2,1H3,(H,38,39)(H,34,36,37)
• InChIKey: CJGATZPXRQHLJD-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 114.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.56
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (CID 137041532) is 3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is COc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OCc7ccccc7)c6)nc45)[nH]c23)c1.

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

The InChIKey is CJGATZPXRQHLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22FN7O2/c1-40-22-12-19(11-21(32)14-22)24-9-10-34-30-27(24)36-31(37-30)29-28-26(38-39-29)8-7-25(35-28)20-13-23(16-33-15-20)41-17-18-5-3-2-4-6-18/h2-16H,17H2,1H3,(H,38,39)(H,34,36,37).

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

3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 543.56 g/mol, XLogP of 6.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137041532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).