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

C23H15FN8O — CID 136937475

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

3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136937475) has the molecular formula C23H15FN8O and a molecular weight of 438.43 g/mol. Its IUPAC name is 3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 136937475
• Molecular Formula: C23H15FN8O
• Molecular Weight: 438.43 g/mol
• Exact Mass: 438.14
• IUPAC Name: 3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
• SMILES: COc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cnccn6)cc45)[nH]c23)c1
• InChI: InChI=1S/C23H15FN8O/c1-33-14-7-12(6-13(24)8-14)15-2-3-27-22-20(15)29-23(30-22)21-16-9-17(19-10-25-4-5-26-19)28-11-18(16)31-32-21/h2-11H,1H3,(H,31,32)(H,27,29,30)
• InChIKey: UAIHSHHXHGXUTI-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 118.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.43
LogP ≤ 5	4.17
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-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine (CID 136937475) is 3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine.

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

The canonical SMILES for 3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine is COc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cnccn6)cc45)[nH]c23)c1.

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

The InChIKey is UAIHSHHXHGXUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN8O/c1-33-14-7-12(6-13(24)8-14)15-2-3-27-22-20(15)29-23(30-22)21-16-9-17(19-10-25-4-5-26-19)28-11-18(16)31-32-21/h2-11H,1H3,(H,31,32)(H,27,29,30).

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

3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 438.43 g/mol, XLogP of 4.17, 4 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-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136937475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).