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

C23H17FN8O2 — CID 137041868

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

3-fluoro-5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol (PubChem CID 137041868) has the molecular formula C23H17FN8O2 and a molecular weight of 456.44 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol.

Molecular Properties

• Compound Name: 3-fluoro-5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol
• PubChem CID: 137041868
• Molecular Formula: C23H17FN8O2
• Molecular Weight: 456.44 g/mol
• Exact Mass: 456.15
• IUPAC Name: 3-fluoro-5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol
• SMILES: Cn1cc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(O)cc(F)c6)c5[nH]4)c3n2)c(CO)n1
• InChI: InChI=1S/C23H17FN8O2/c1-32-9-15(18(10-33)31-32)16-2-3-17-20(26-16)21(30-29-17)23-27-19-14(4-5-25-22(19)28-23)11-6-12(24)8-13(34)7-11/h2-9,33-34H,10H2,1H3,(H,29,30)(H,25,27,28)
• InChIKey: MIMHAWXVTGOBCR-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 141.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.44
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol (CID 137041868) is 3-fluoro-5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol.

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

The canonical SMILES for 3-fluoro-5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol is Cn1cc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(O)cc(F)c6)c5[nH]4)c3n2)c(CO)n1.

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

The InChIKey is MIMHAWXVTGOBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN8O2/c1-32-9-15(18(10-33)31-32)16-2-3-17-20(26-16)21(30-29-17)23-27-19-14(4-5-25-22(19)28-23)11-6-12(24)8-13(34)7-11/h2-9,33-34H,10H2,1H3,(H,29,30)(H,25,27,28).

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

3-fluoro-5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol has a molecular weight of 456.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol is sourced from PubChem (CID 137041868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).