N-cyclopropyl-4-[8-(4-hydroxybutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide

C₂₆H₂₆N₄O₂S — CID 53373574

About N-cyclopropyl-4-[8-(4-hydroxybutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[8-(4-hydroxybutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 53373574) has the molecular formula C₂₆H₂₆N₄O₂S and a molecular weight of 458.59 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(4-hydroxybutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[8-(4-hydroxybutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
• PubChem CID: 53373574
• Molecular Formula: C₂₆H₂₆N₄O₂S
• Molecular Weight: 458.59 g/mol
• Exact Mass: 458.18
• IUPAC Name: N-cyclopropyl-4-[8-(4-hydroxybutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
• SMILES: O=C(NC1CC1)c1ccc(-c2cnc3c(SCCCCO)nc(-c4ccccc4)cn23)cc1
• InChI: InChI=1S/C26H26N4O2S/c31-14-4-5-15-33-26-24-27-16-23(30(24)17-22(29-26)18-6-2-1-3-7-18)19-8-10-20(11-9-19)25(32)28-21-12-13-21/h1-3,6-11,16-17,21,31H,4-5,12-15H2,(H,28,32)
• InChIKey: RPTPSKRGRWJUQP-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 79.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.59
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
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 N-cyclopropyl-4-[8-(4-hydroxybutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?

The IUPAC name of N-cyclopropyl-4-[8-(4-hydroxybutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (CID 53373574) is N-cyclopropyl-4-[8-(4-hydroxybutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.

What is the SMILES notation for N-cyclopropyl-4-[8-(4-hydroxybutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?

The canonical SMILES for N-cyclopropyl-4-[8-(4-hydroxybutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(SCCCCO)nc(-c4ccccc4)cn23)cc1.

What is the InChIKey of N-cyclopropyl-4-[8-(4-hydroxybutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?

The InChIKey is RPTPSKRGRWJUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S/c31-14-4-5-15-33-26-24-27-16-23(30(24)17-22(29-26)18-6-2-1-3-7-18)19-8-10-20(11-9-19)25(32)28-21-12-13-21/h1-3,6-11,16-17,21,31H,4-5,12-15H2,(H,28,32).

What are the key properties of N-cyclopropyl-4-[8-(4-hydroxybutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?

N-cyclopropyl-4-[8-(4-hydroxybutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 458.59 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[8-(4-hydroxybutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 53373574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 53373574 — identifiers, structure, computed properties (public domain)

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