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

C23H14FN7O — CID 137110240

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

3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenol (PubChem CID 137110240) has the molecular formula C23H14FN7O and a molecular weight of 423.41 g/mol. Its IUPAC name is 3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenol.

Molecular Properties

• Compound Name: 3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenol
• PubChem CID: 137110240
• Molecular Formula: C23H14FN7O
• Molecular Weight: 423.41 g/mol
• Exact Mass: 423.12
• IUPAC Name: 3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenol
• SMILES: Oc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)nc45)nc23)c1
• InChI: InChI=1S/C23H14FN7O/c24-14-7-13(8-15(32)9-14)16-10-26-11-19-20(16)29-23(28-19)22-21-18(30-31-22)2-1-17(27-21)12-3-5-25-6-4-12/h1-11,32H,(H,28,29)(H,30,31)
• InChIKey: RPBIZRGPNUGKFD-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 116.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.41
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenol (CID 137110240) is 3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenol.

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

The canonical SMILES for 3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenol is Oc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)nc45)nc23)c1.

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

The InChIKey is RPBIZRGPNUGKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN7O/c24-14-7-13(8-15(32)9-14)16-10-26-11-19-20(16)29-23(28-19)22-21-18(30-31-22)2-1-17(27-21)12-3-5-25-6-4-12/h1-11,32H,(H,28,29)(H,30,31).

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

3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenol has a molecular weight of 423.41 g/mol, XLogP of 4.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenol is sourced from PubChem (CID 137110240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).