6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine

C₂₆H₂₈N₆O — CID 25151030

About 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine

6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 25151030) has the molecular formula C₂₆H₂₈N₆O and a molecular weight of 440.55 g/mol. Its IUPAC name is 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
• PubChem CID: 25151030
• Molecular Formula: C₂₆H₂₈N₆O
• Molecular Weight: 440.55 g/mol
• Exact Mass: 440.23
• IUPAC Name: 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
• SMILES: COc1ccc(-c2nc3ncc(C4CC4)c(N4CCN(Cc5cccnc5)CC4)c3[nH]2)cc1
• InChI: InChI=1S/C26H28N6O/c1-33-21-8-6-20(7-9-21)25-29-23-24(22(19-4-5-19)16-28-26(23)30-25)32-13-11-31(12-14-32)17-18-3-2-10-27-15-18/h2-3,6-10,15-16,19H,4-5,11-14,17H2,1H3,(H,28,29,30)
• InChIKey: QFLCYKLLBNLNEV-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 70.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.55
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine (CID 25151030) is 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine is COc1ccc(-c2nc3ncc(C4CC4)c(N4CCN(Cc5cccnc5)CC4)c3[nH]2)cc1.

What is the InChIKey of 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?

The InChIKey is QFLCYKLLBNLNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-33-21-8-6-20(7-9-21)25-29-23-24(22(19-4-5-19)16-28-26(23)30-25)32-13-11-31(12-14-32)17-18-3-2-10-27-15-18/h2-3,6-10,15-16,19H,4-5,11-14,17H2,1H3,(H,28,29,30).

What are the key properties of 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?

6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 440.55 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 25151030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 25151030 — identifiers, structure, computed properties (public domain)

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