4-(3-methoxyphenyl)-N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide

C22H29IN6O — CID 119131485

About 4-(3-methoxyphenyl)-N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide

4-(3-methoxyphenyl)-N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 119131485) has the molecular formula C22H29IN6O and a molecular weight of 520.42 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: 4-(3-methoxyphenyl)-N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
• PubChem CID: 119131485
• Molecular Formula: C22H29IN6O
• Molecular Weight: 520.42 g/mol
• Exact Mass: 520.14
• IUPAC Name: 4-(3-methoxyphenyl)-N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
• SMILES: C/N=C(/NCc1cn2ccc(C)cc2n1)N1CCN(c2cccc(OC)c2)CC1.I
• InChI: InChI=1S/C22H28N6O.HI/c1-17-7-8-28-16-18(25-21(28)13-17)15-24-22(23-2)27-11-9-26(10-12-27)19-5-4-6-20(14-19)29-3;/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,23,24);1H
• InChIKey: UFYXDHORHWOGNT-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 57.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.42
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?

The IUPAC name of 4-(3-methoxyphenyl)-N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide (CID 119131485) is 4-(3-methoxyphenyl)-N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide.

What is the SMILES notation for 4-(3-methoxyphenyl)-N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?

The canonical SMILES for 4-(3-methoxyphenyl)-N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide is C/N=C(/NCc1cn2ccc(C)cc2n1)N1CCN(c2cccc(OC)c2)CC1.I.

What is the InChIKey of 4-(3-methoxyphenyl)-N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?

The InChIKey is UFYXDHORHWOGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O.HI/c1-17-7-8-28-16-18(25-21(28)13-17)15-24-22(23-2)27-11-9-26(10-12-27)19-5-4-6-20(14-19)29-3;/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,23,24);1H.

What are the key properties of 4-(3-methoxyphenyl)-N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?

4-(3-methoxyphenyl)-N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 520.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-methoxyphenyl)-N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119131485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).