2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane

C24H26ClN5 — CID 143150792

About 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane

2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane (PubChem CID 143150792) has the molecular formula C24H26ClN5 and a molecular weight of 419.96 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane.

Molecular Properties

• Compound Name: 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane
• PubChem CID: 143150792
• Molecular Formula: C24H26ClN5
• Molecular Weight: 419.96 g/mol
• Exact Mass: 419.19
• IUPAC Name: 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane
• SMILES: CC.CC#CC.Nc1ccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)cc1
• InChI: InChI=1S/C18H14ClN5.C4H6.C2H6/c19-13-2-1-3-15(10-13)22-18-17(12-4-6-14(20)7-5-12)23-16-11-21-8-9-24(16)18;1-3-4-2;1-2/h1-11,22H,20H2;1-2H3;1-2H3
• InChIKey: TUCZMDLXNYXTFM-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 68.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.96
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane?

The IUPAC name of 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane (CID 143150792) is 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane.

What is the SMILES notation for 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane?

The canonical SMILES for 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane is CC.CC#CC.Nc1ccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)cc1.

What is the InChIKey of 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane?

The InChIKey is TUCZMDLXNYXTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5.C4H6.C2H6/c19-13-2-1-3-15(10-13)22-18-17(12-4-6-14(20)7-5-12)23-16-11-21-8-9-24(16)18;1-3-4-2;1-2/h1-11,22H,20H2;1-2H3;1-2H3.

What are the key properties of 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane?

2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane has a molecular weight of 419.96 g/mol, XLogP of 6.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane is sourced from PubChem (CID 143150792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).