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

C22H13FN8O — CID 137057162

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

3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenol (PubChem CID 137057162) has the molecular formula C22H13FN8O and a molecular weight of 424.40 g/mol. Its IUPAC name is 3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenol.

Molecular Properties

• Compound Name: 3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenol
• PubChem CID: 137057162
• Molecular Formula: C22H13FN8O
• Molecular Weight: 424.40 g/mol
• Exact Mass: 424.12
• IUPAC Name: 3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenol
• SMILES: Oc1cc(F)cc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncnc6)cc45)[nH]c23)c1
• InChI: InChI=1S/C22H13FN8O/c23-14-3-11(4-15(32)6-14)16-1-2-26-21-18(16)28-22(29-21)19-17-5-12(9-27-20(17)31-30-19)13-7-24-10-25-8-13/h1-10,32H,(H,26,28,29)(H,27,30,31)
• InChIKey: QNXFWFKALYXCRB-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 129.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.40
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenol (CID 137057162) is 3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenol.

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

The canonical SMILES for 3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenol is Oc1cc(F)cc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncnc6)cc45)[nH]c23)c1.

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

The InChIKey is QNXFWFKALYXCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN8O/c23-14-3-11(4-15(32)6-14)16-1-2-26-21-18(16)28-22(29-21)19-17-5-12(9-27-20(17)31-30-19)13-7-24-10-25-8-13/h1-10,32H,(H,26,28,29)(H,27,30,31).

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

3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenol has a molecular weight of 424.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenol is sourced from PubChem (CID 137057162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).