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

C24H16FN7O2 — CID 136946057

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

5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol (PubChem CID 136946057) has the molecular formula C24H16FN7O2 and a molecular weight of 453.44 g/mol. Its IUPAC name is 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol.

Molecular Properties

• Compound Name: 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
• PubChem CID: 136946057
• Molecular Formula: C24H16FN7O2
• Molecular Weight: 453.44 g/mol
• Exact Mass: 453.13
• IUPAC Name: 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
• SMILES: COc1cc(F)cc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(O)c6)cc45)[nH]c23)c1
• InChI: InChI=1S/C24H16FN7O2/c1-34-17-6-12(4-15(25)8-17)18-2-3-27-23-20(18)29-24(30-23)21-19-7-14(10-28-22(19)32-31-21)13-5-16(33)11-26-9-13/h2-11,33H,1H3,(H,27,29,30)(H,28,31,32)
• InChIKey: VBFZGFAHFQJWBO-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 125.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.44
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol (CID 136946057) is 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol.

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

The canonical SMILES for 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol is COc1cc(F)cc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(O)c6)cc45)[nH]c23)c1.

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

The InChIKey is VBFZGFAHFQJWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN7O2/c1-34-17-6-12(4-15(25)8-17)18-2-3-27-23-20(18)29-24(30-23)21-19-7-14(10-28-22(19)32-31-21)13-5-16(33)11-26-9-13/h2-11,33H,1H3,(H,27,29,30)(H,28,31,32).

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

5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol has a molecular weight of 453.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol is sourced from PubChem (CID 136946057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).