3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol

C24H15FN6O — CID 136943288

About 3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol

3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol (PubChem CID 136943288) has the molecular formula C24H15FN6O and a molecular weight of 422.42 g/mol. Its IUPAC name is 3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol.

Molecular Properties

• Compound Name: 3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol
• PubChem CID: 136943288
• Molecular Formula: C24H15FN6O
• Molecular Weight: 422.42 g/mol
• Exact Mass: 422.13
• IUPAC Name: 3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol
• SMILES: Oc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cccnc6)cc45)nc23)c1
• InChI: InChI=1S/C24H15FN6O/c25-15-7-14(8-16(32)9-15)17-4-1-5-19-22(17)29-24(28-19)23-18-10-20(13-3-2-6-26-11-13)27-12-21(18)30-31-23/h1-12,32H,(H,28,29)(H,30,31)
• InChIKey: SDLIKYSVBJPKHY-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 103.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.42
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol (CID 136943288) is 3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol.

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

The canonical SMILES for 3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol is Oc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cccnc6)cc45)nc23)c1.

What is the InChIKey of 3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol?

The InChIKey is SDLIKYSVBJPKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN6O/c25-15-7-14(8-16(32)9-15)17-4-1-5-19-22(17)29-24(28-19)23-18-10-20(13-3-2-6-26-11-13)27-12-21(18)30-31-23/h1-12,32H,(H,28,29)(H,30,31).

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

3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol has a molecular weight of 422.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol is sourced from PubChem (CID 136943288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).