2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C₁₇H₁₈N₆O — CID 39299976

About 2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 39299976) has the molecular formula C₁₇H₁₈N₆O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
• PubChem CID: 39299976
• Molecular Formula: C₁₇H₁₈N₆O
• Molecular Weight: 322.37 g/mol
• Exact Mass: 322.15
• IUPAC Name: 2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
• SMILES: O=C(Cc1cn2ccccc2n1)N1CCN(c2ncccn2)CC1
• InChI: InChI=1S/C17H18N6O/c24-16(12-14-13-23-7-2-1-4-15(23)20-14)21-8-10-22(11-9-21)17-18-5-3-6-19-17/h1-7,13H,8-12H2
• InChIKey: LQYXICNWKFIXAM-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 66.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.37
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?

The IUPAC name of 2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 39299976) is 2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

What is the SMILES notation for 2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?

The canonical SMILES for 2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(Cc1cn2ccccc2n1)N1CCN(c2ncccn2)CC1.

What is the InChIKey of 2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?

The InChIKey is LQYXICNWKFIXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-16(12-14-13-23-7-2-1-4-15(23)20-14)21-8-10-22(11-9-21)17-18-5-3-6-19-17/h1-7,13H,8-12H2.

What are the key properties of 2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?

2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 322.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 39299976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 39299976 — identifiers, structure, computed properties (public domain)

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