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

C24H16FN7 — CID 137041930

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

3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137041930) has the molecular formula C24H16FN7 and a molecular weight of 421.44 g/mol. Its IUPAC name is 3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137041930
• Molecular Formula: C24H16FN7
• Molecular Weight: 421.44 g/mol
• Exact Mass: 421.15
• IUPAC Name: 3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: Cc1ccncc1-c1ccc2[nH]nc(-c3nc4nccc(-c5ccc(F)cc5)c4[nH]3)c2n1
• InChI: InChI=1S/C24H16FN7/c1-13-8-10-26-12-17(13)18-6-7-19-21(28-18)22(32-31-19)24-29-20-16(9-11-27-23(20)30-24)14-2-4-15(25)5-3-14/h2-12H,1H3,(H,31,32)(H,27,29,30)
• InChIKey: AZQXELCEUJHMDU-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.44
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (CID 137041930) is 3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is Cc1ccncc1-c1ccc2[nH]nc(-c3nc4nccc(-c5ccc(F)cc5)c4[nH]3)c2n1.

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

The InChIKey is AZQXELCEUJHMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN7/c1-13-8-10-26-12-17(13)18-6-7-19-21(28-18)22(32-31-19)24-29-20-16(9-11-27-23(20)30-24)14-2-4-15(25)5-3-14/h2-12H,1H3,(H,31,32)(H,27,29,30).

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

3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 421.44 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137041930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).