3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine

C21H12FN7S — CID 137041910

About 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine

3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137041910) has the molecular formula C21H12FN7S and a molecular weight of 413.44 g/mol. Its IUPAC name is 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137041910
• Molecular Formula: C21H12FN7S
• Molecular Weight: 413.44 g/mol
• Exact Mass: 413.09
• IUPAC Name: 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
• SMILES: Fc1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cccnc6)nc45)[nH]c23)s1
• InChI: InChI=1S/C21H12FN7S/c22-16-6-5-15(30-16)12-7-9-24-20-17(12)26-21(27-20)19-18-14(28-29-19)4-3-13(25-18)11-2-1-8-23-10-11/h1-10H,(H,28,29)(H,24,26,27)
• InChIKey: XZOINRPTODSNIZ-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.44
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine (CID 137041910) is 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine is Fc1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cccnc6)nc45)[nH]c23)s1.

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

The InChIKey is XZOINRPTODSNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FN7S/c22-16-6-5-15(30-16)12-7-9-24-20-17(12)26-21(27-20)19-18-14(28-29-19)4-3-13(25-18)11-2-1-8-23-10-11/h1-10H,(H,28,29)(H,24,26,27).

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

3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 413.44 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137041910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).