3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol

C24H18FN7O — CID 137109642

About 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol

3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol (PubChem CID 137109642) has the molecular formula C24H18FN7O and a molecular weight of 439.45 g/mol. Its IUPAC name is 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol.

Molecular Properties

• Compound Name: 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
• PubChem CID: 137109642
• Molecular Formula: C24H18FN7O
• Molecular Weight: 439.45 g/mol
• Exact Mass: 439.16
• IUPAC Name: 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
• SMILES: Cc1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3n2)n1C
• InChI: InChI=1S/C24H18FN7O/c1-12-26-11-20(32(12)2)17-6-7-19-22(27-17)23(31-30-19)24-28-18-5-3-4-16(21(18)29-24)13-8-14(25)10-15(33)9-13/h3-11,33H,1-2H3,(H,28,29)(H,30,31)
• InChIKey: GNOOFZNAOKVFJH-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 108.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.45
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol?

The IUPAC name of 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol (CID 137109642) is 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol.

What is the SMILES notation for 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol?

The canonical SMILES for 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol is Cc1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3n2)n1C.

What is the InChIKey of 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol?

The InChIKey is GNOOFZNAOKVFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7O/c1-12-26-11-20(32(12)2)17-6-7-19-22(27-17)23(31-30-19)24-28-18-5-3-4-16(21(18)29-24)13-8-14(25)10-15(33)9-13/h3-11,33H,1-2H3,(H,28,29)(H,30,31).

What are the key properties of 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol?

3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol has a molecular weight of 439.45 g/mol, XLogP of 4.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol is sourced from PubChem (CID 137109642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).