(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone

C26H32N4O3 — CID 112802586

About (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone

(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 112802586) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
• PubChem CID: 112802586
• Molecular Formula: C26H32N4O3
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.25
• IUPAC Name: (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
• SMILES: C=CCc1cc(C(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)cc(OC)c1OC
• InChI: InChI=1S/C26H32N4O3/c1-6-7-20-15-21(16-23(32-4)25(20)33-5)26(31)29-12-10-28(11-13-29)17-22-19(3)27-24-14-18(2)8-9-30(22)24/h6,8-9,14-16H,1,7,10-13,17H2,2-5H3
• InChIKey: NCKMMHNQFSIQPT-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 59.31 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone?

The IUPAC name of (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone (CID 112802586) is (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone.

What is the SMILES notation for (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone?

The canonical SMILES for (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone is C=CCc1cc(C(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)cc(OC)c1OC.

What is the InChIKey of (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone?

The InChIKey is NCKMMHNQFSIQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-6-7-20-15-21(16-23(32-4)25(20)33-5)26(31)29-12-10-28(11-13-29)17-22-19(3)27-24-14-18(2)8-9-30(22)24/h6,8-9,14-16H,1,7,10-13,17H2,2-5H3.

What are the key properties of (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone?

(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 448.57 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 112802586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).