7-(4-methylpiperazin-1-yl)-2-(3-pyrazin-2-yl-1H-pyrazol-5-yl)-1H-imidazo[4,5-b]pyridine

C18H19N9 — CID 137042187

About 7-(4-methylpiperazin-1-yl)-2-(3-pyrazin-2-yl-1H-pyrazol-5-yl)-1H-imidazo[4,5-b]pyridine

7-(4-methylpiperazin-1-yl)-2-(3-pyrazin-2-yl-1H-pyrazol-5-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 137042187) has the molecular formula C18H19N9 and a molecular weight of 361.41 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-2-(3-pyrazin-2-yl-1H-pyrazol-5-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 7-(4-methylpiperazin-1-yl)-2-(3-pyrazin-2-yl-1H-pyrazol-5-yl)-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137042187
• Molecular Formula: C18H19N9
• Molecular Weight: 361.41 g/mol
• Exact Mass: 361.18
• IUPAC Name: 7-(4-methylpiperazin-1-yl)-2-(3-pyrazin-2-yl-1H-pyrazol-5-yl)-1H-imidazo[4,5-b]pyridine
• SMILES: CN1CCN(c2ccnc3nc(-c4cc(-c5cnccn5)n[nH]4)[nH]c23)CC1
• InChI: InChI=1S/C18H19N9/c1-26-6-8-27(9-7-26)15-2-3-21-18-16(15)22-17(23-18)13-10-12(24-25-13)14-11-19-4-5-20-14/h2-5,10-11H,6-9H2,1H3,(H,24,25)(H,21,22,23)
• InChIKey: KPJLEYZCIGFWKS-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 102.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.41
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-(4-methylpiperazin-1-yl)-2-(3-pyrazin-2-yl-1H-pyrazol-5-yl)-1H-imidazo[4,5-b]pyridine (CID 137042187) is 7-(4-methylpiperazin-1-yl)-2-(3-pyrazin-2-yl-1H-pyrazol-5-yl)-1H-imidazo[4,5-b]pyridine.

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

The canonical SMILES for 7-(4-methylpiperazin-1-yl)-2-(3-pyrazin-2-yl-1H-pyrazol-5-yl)-1H-imidazo[4,5-b]pyridine is CN1CCN(c2ccnc3nc(-c4cc(-c5cnccn5)n[nH]4)[nH]c23)CC1.

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

The InChIKey is KPJLEYZCIGFWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9/c1-26-6-8-27(9-7-26)15-2-3-21-18-16(15)22-17(23-18)13-10-12(24-25-13)14-11-19-4-5-20-14/h2-5,10-11H,6-9H2,1H3,(H,24,25)(H,21,22,23).

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

7-(4-methylpiperazin-1-yl)-2-(3-pyrazin-2-yl-1H-pyrazol-5-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 361.41 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-methylpiperazin-1-yl)-2-(3-pyrazin-2-yl-1H-pyrazol-5-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137042187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).