2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal

C29H36N8O2 — CID 144617595

About 2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal

2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal (PubChem CID 144617595) has the molecular formula C29H36N8O2 and a molecular weight of 528.66 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal.

Molecular Properties

• Compound Name: 2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal
• PubChem CID: 144617595
• Molecular Formula: C29H36N8O2
• Molecular Weight: 528.66 g/mol
• Exact Mass: 528.30
• IUPAC Name: 2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal
• SMILES: CN.NC(=O)Cc1cnc2ccccn12.O=CCCCCCCc1ncc(-c2ccc(-n3cccn3)cc2)[nH]1
• InChI: InChI=1S/C19H22N4O.C9H9N3O.CH5N/c24-14-5-3-1-2-4-7-19-20-15-18(22-19)16-8-10-17(11-9-16)23-13-6-12-21-23;10-8(13)5-7-6-11-9-3-1-2-4-12(7)9;1-2/h6,8-15H,1-5,7H2,(H,20,22);1-4,6H,5H2,(H2,10,13);2H2,1H3
• InChIKey: GVMTVCOKCFUSQY-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 149.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.66
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal?

The IUPAC name of 2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal (CID 144617595) is 2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal.

What is the SMILES notation for 2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal?

The canonical SMILES for 2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal is CN.NC(=O)Cc1cnc2ccccn12.O=CCCCCCCc1ncc(-c2ccc(-n3cccn3)cc2)[nH]1.

What is the InChIKey of 2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal?

The InChIKey is GVMTVCOKCFUSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.C9H9N3O.CH5N/c24-14-5-3-1-2-4-7-19-20-15-18(22-19)16-8-10-17(11-9-16)23-13-6-12-21-23;10-8(13)5-7-6-11-9-3-1-2-4-12(7)9;1-2/h6,8-15H,1-5,7H2,(H,20,22);1-4,6H,5H2,(H2,10,13);2H2,1H3.

What are the key properties of 2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal?

2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal has a molecular weight of 528.66 g/mol, XLogP of 3.89, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal is sourced from PubChem (CID 144617595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).