N-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-N-methyl-4-morpholin-4-ylbutan-1-amine

C33H37N5O3 — CID 118284758

About N-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-N-methyl-4-morpholin-4-ylbutan-1-amine

N-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-N-methyl-4-morpholin-4-ylbutan-1-amine (PubChem CID 118284758) has the molecular formula C33H37N5O3 and a molecular weight of 551.69 g/mol. Its IUPAC name is N-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-N-methyl-4-morpholin-4-ylbutan-1-amine.

Molecular Properties

• Compound Name: N-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-N-methyl-4-morpholin-4-ylbutan-1-amine
• PubChem CID: 118284758
• Molecular Formula: C33H37N5O3
• Molecular Weight: 551.69 g/mol
• Exact Mass: 551.29
• IUPAC Name: N-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-N-methyl-4-morpholin-4-ylbutan-1-amine
• SMILES: CN(CCCCN1CCOCC1)Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12
• InChI: InChI=1S/C33H37N5O3/c1-36(16-8-9-17-37-18-21-39-22-19-37)41-33-30(24-28-15-10-20-40-28)35-32-29(23-26-11-4-2-5-12-26)34-31(25-38(32)33)27-13-6-3-7-14-27/h2-7,10-15,20,25H,8-9,16-19,21-24H2,1H3
• InChIKey: YMDVFPHESXKBBE-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 68.27 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.69
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-N-methyl-4-morpholin-4-ylbutan-1-amine?

The IUPAC name of N-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-N-methyl-4-morpholin-4-ylbutan-1-amine (CID 118284758) is N-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-N-methyl-4-morpholin-4-ylbutan-1-amine.

What is the SMILES notation for N-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-N-methyl-4-morpholin-4-ylbutan-1-amine?

The canonical SMILES for N-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-N-methyl-4-morpholin-4-ylbutan-1-amine is CN(CCCCN1CCOCC1)Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12.

What is the InChIKey of N-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-N-methyl-4-morpholin-4-ylbutan-1-amine?

The InChIKey is YMDVFPHESXKBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N5O3/c1-36(16-8-9-17-37-18-21-39-22-19-37)41-33-30(24-28-15-10-20-40-28)35-32-29(23-26-11-4-2-5-12-26)34-31(25-38(32)33)27-13-6-3-7-14-27/h2-7,10-15,20,25H,8-9,16-19,21-24H2,1H3.

What are the key properties of N-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-N-methyl-4-morpholin-4-ylbutan-1-amine?

N-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-N-methyl-4-morpholin-4-ylbutan-1-amine has a molecular weight of 551.69 g/mol, XLogP of 5.51, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-N-methyl-4-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 118284758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).