[3-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone

C18H22N6O3 — CID 45207558

About [3-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone

[3-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 45207558) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is [3-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: [3-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
• PubChem CID: 45207558
• Molecular Formula: C18H22N6O3
• Molecular Weight: 370.41 g/mol
• Exact Mass: 370.18
• IUPAC Name: [3-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
• SMILES: Cc1nonc1OCCNCc1c(C(=O)N2CCCC2)nc2ccccn12
• InChI: InChI=1S/C18H22N6O3/c1-13-17(22-27-21-13)26-11-7-19-12-14-16(18(25)23-8-4-5-9-23)20-15-6-2-3-10-24(14)15/h2-3,6,10,19H,4-5,7-9,11-12H2,1H3
• InChIKey: DTSBDEIFEPPECK-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 97.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.41
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?

The IUPAC name of [3-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone (CID 45207558) is [3-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for [3-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for [3-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone is Cc1nonc1OCCNCc1c(C(=O)N2CCCC2)nc2ccccn12.

What is the InChIKey of [3-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?

The InChIKey is DTSBDEIFEPPECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-13-17(22-27-21-13)26-11-7-19-12-14-16(18(25)23-8-4-5-9-23)20-15-6-2-3-10-24(14)15/h2-3,6,10,19H,4-5,7-9,11-12H2,1H3.

What are the key properties of [3-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?

[3-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 370.41 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 45207558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).