[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone

C26H25N5O4 — CID 55780437

About [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone

[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone (PubChem CID 55780437) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone
• PubChem CID: 55780437
• Molecular Formula: C26H25N5O4
• Molecular Weight: 471.52 g/mol
• Exact Mass: 471.19
• IUPAC Name: [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone
• SMILES: Cc1ccc2nc(COc3cccc(C(=O)N4CCN(c5cccc([N+](=O)[O-])c5)CC4)c3)cn2c1
• InChI: InChI=1S/C26H25N5O4/c1-19-8-9-25-27-21(17-30(25)16-19)18-35-24-7-2-4-20(14-24)26(32)29-12-10-28(11-13-29)22-5-3-6-23(15-22)31(33)34/h2-9,14-17H,10-13,18H2,1H3
• InChIKey: KACANPKUZIBCRO-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 93.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.52
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone?

The IUPAC name of [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone (CID 55780437) is [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone.

What is the SMILES notation for [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone?

The canonical SMILES for [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone is Cc1ccc2nc(COc3cccc(C(=O)N4CCN(c5cccc([N+](=O)[O-])c5)CC4)c3)cn2c1.

What is the InChIKey of [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone?

The InChIKey is KACANPKUZIBCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-19-8-9-25-27-21(17-30(25)16-19)18-35-24-7-2-4-20(14-24)26(32)29-12-10-28(11-13-29)22-5-3-6-23(15-22)31(33)34/h2-9,14-17H,10-13,18H2,1H3.

What are the key properties of [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone?

[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone has a molecular weight of 471.52 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55780437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).