3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine

C22H13FN8 — CID 136944247

About 3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine

3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136944247) has the molecular formula C22H13FN8 and a molecular weight of 408.40 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 136944247
• Molecular Formula: C22H13FN8
• Molecular Weight: 408.40 g/mol
• Exact Mass: 408.12
• IUPAC Name: 3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
• SMILES: Fc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4cnc(-c5cnccn5)cc34)nc12
• InChI: InChI=1S/C22H13FN8/c23-14-4-2-1-3-12(14)19-21-15(5-6-26-19)28-22(29-21)20-13-9-16(18-10-24-7-8-25-18)27-11-17(13)30-31-20/h1-11H,(H,28,29)(H,30,31)
• InChIKey: ORTJJAOIYJRBCP-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.40
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine (CID 136944247) is 3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine is Fc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4cnc(-c5cnccn5)cc34)nc12.

What is the InChIKey of 3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is ORTJJAOIYJRBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN8/c23-14-4-2-1-3-12(14)19-21-15(5-6-26-19)28-22(29-21)20-13-9-16(18-10-24-7-8-25-18)27-11-17(13)30-31-20/h1-11H,(H,28,29)(H,30,31).

What are the key properties of 3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine?

3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 408.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136944247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).