3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine

C24H15FN6 — CID 137117143

About 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine

3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137117143) has the molecular formula C24H15FN6 and a molecular weight of 406.42 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 137117143
• Molecular Formula: C24H15FN6
• Molecular Weight: 406.42 g/mol
• Exact Mass: 406.13
• IUPAC Name: 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
• SMILES: Fc1ccccc1-c1ccnc2[nH]c(-c3[nH]nc4ncc(-c5ccncc5)cc34)cc12
• InChI: InChI=1S/C24H15FN6/c25-20-4-2-1-3-17(20)16-7-10-27-23-18(16)12-21(29-23)22-19-11-15(13-28-24(19)31-30-22)14-5-8-26-9-6-14/h1-13H,(H,27,29)(H,28,30,31)
• InChIKey: YDSHYCOXSLZTQK-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.42
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine (CID 137117143) is 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine.

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

The canonical SMILES for 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine is Fc1ccccc1-c1ccnc2[nH]c(-c3[nH]nc4ncc(-c5ccncc5)cc34)cc12.

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

The InChIKey is YDSHYCOXSLZTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN6/c25-20-4-2-1-3-17(20)16-7-10-27-23-18(16)12-21(29-23)22-19-11-15(13-28-24(19)31-30-22)14-5-8-26-9-6-14/h1-13H,(H,27,29)(H,28,30,31).

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

3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 406.42 g/mol, XLogP of 5.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137117143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).