[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(2-methoxyethoxy)azetidin-1-yl]methanone

C25H32N4O3 — CID 138622201

About [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(2-methoxyethoxy)azetidin-1-yl]methanone

[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(2-methoxyethoxy)azetidin-1-yl]methanone (PubChem CID 138622201) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(2-methoxyethoxy)azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(2-methoxyethoxy)azetidin-1-yl]methanone
• PubChem CID: 138622201
• Molecular Formula: C25H32N4O3
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.25
• IUPAC Name: [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(2-methoxyethoxy)azetidin-1-yl]methanone
• SMILES: COCCOC1CN(C(=O)c2cc(NCc3c(C)cccc3C)c3nc(C)c(C)n3c2)C1
• InChI: InChI=1S/C25H32N4O3/c1-16-7-6-8-17(2)22(16)12-26-23-11-20(13-29-19(4)18(3)27-24(23)29)25(30)28-14-21(15-28)32-10-9-31-5/h6-8,11,13,21,26H,9-10,12,14-15H2,1-5H3
• InChIKey: MFYCVIMMPGYSDD-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 68.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(2-methoxyethoxy)azetidin-1-yl]methanone?

The IUPAC name of [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(2-methoxyethoxy)azetidin-1-yl]methanone (CID 138622201) is [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(2-methoxyethoxy)azetidin-1-yl]methanone.

What is the SMILES notation for [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(2-methoxyethoxy)azetidin-1-yl]methanone?

The canonical SMILES for [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(2-methoxyethoxy)azetidin-1-yl]methanone is COCCOC1CN(C(=O)c2cc(NCc3c(C)cccc3C)c3nc(C)c(C)n3c2)C1.

What is the InChIKey of [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(2-methoxyethoxy)azetidin-1-yl]methanone?

The InChIKey is MFYCVIMMPGYSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-16-7-6-8-17(2)22(16)12-26-23-11-20(13-29-19(4)18(3)27-24(23)29)25(30)28-14-21(15-28)32-10-9-31-5/h6-8,11,13,21,26H,9-10,12,14-15H2,1-5H3.

What are the key properties of [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(2-methoxyethoxy)azetidin-1-yl]methanone?

[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(2-methoxyethoxy)azetidin-1-yl]methanone has a molecular weight of 436.56 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(2-methoxyethoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 138622201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).