N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide

C18H28IN7O2 — CID 119159109

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 119159109) has the molecular formula C18H28IN7O2 and a molecular weight of 501.37 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
• PubChem CID: 119159109
• Molecular Formula: C18H28IN7O2
• Molecular Weight: 501.37 g/mol
• Exact Mass: 501.13
• IUPAC Name: N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
• SMILES: C/N=C(\NCCc1c(C)noc1C)N1CCN(c2nccn(C)c2=O)CC1.I
• InChI: InChI=1S/C18H27N7O2.HI/c1-13-15(14(2)27-22-13)5-6-21-18(19-3)25-11-9-24(10-12-25)16-17(26)23(4)8-7-20-16;/h7-8H,5-6,9-12H2,1-4H3,(H,19,21);1H
• InChIKey: ITPMRFGZPNCCIP-UHFFFAOYSA-N
• XLogP: 0.94
• TPSA: 91.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.37
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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 N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide?

The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 119159109) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide?

The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCCc1c(C)noc1C)N1CCN(c2nccn(C)c2=O)CC1.I.

What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide?

The InChIKey is ITPMRFGZPNCCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O2.HI/c1-13-15(14(2)27-22-13)5-6-21-18(19-3)25-11-9-24(10-12-25)16-17(26)23(4)8-7-20-16;/h7-8H,5-6,9-12H2,1-4H3,(H,19,21);1H.

What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide?

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 501.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119159109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).