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

C₂₂H₂₄N₁₀ — CID 137042025

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

2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 137042025) has the molecular formula C₂₂H₂₄N₁₀ and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137042025
• Molecular Formula: C₂₂H₂₄N₁₀
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.22
• IUPAC Name: 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
• SMILES: Cc1ncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCN(C)CC6)c5[nH]4)c3n2)n1C
• InChI: InChI=1S/C22H24N10/c1-13-24-12-17(31(13)3)14-4-5-15-18(25-14)20(29-28-15)22-26-19-16(6-7-23-21(19)27-22)32-10-8-30(2)9-11-32/h4-7,12H,8-11H2,1-3H3,(H,28,29)(H,23,26,27)
• InChIKey: DLHGMONGQWYTDA-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 107.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine (CID 137042025) is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine.

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

The canonical SMILES for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine is Cc1ncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCN(C)CC6)c5[nH]4)c3n2)n1C.

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

The InChIKey is DLHGMONGQWYTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N10/c1-13-24-12-17(31(13)3)14-4-5-15-18(25-14)20(29-28-15)22-26-19-16(6-7-23-21(19)27-22)32-10-8-30(2)9-11-32/h4-7,12H,8-11H2,1-3H3,(H,28,29)(H,23,26,27).

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

2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 428.50 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137042025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 137042025 — identifiers, structure, computed properties (public domain)

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