3-benzyl-5-(4-pentoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(4-hydroxybutoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one

C65H72N6O7 — CID 158787395

About 3-benzyl-5-(4-pentoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(4-hydroxybutoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one

3-benzyl-5-(4-pentoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(4-hydroxybutoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one (PubChem CID 158787395) has the molecular formula C65H72N6O7 and a molecular weight of 1049.33 g/mol. Its IUPAC name is 3-benzyl-5-(4-pentoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(4-hydroxybutoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one.

Molecular Properties

• Compound Name: 3-benzyl-5-(4-pentoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(4-hydroxybutoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one
• PubChem CID: 158787395
• Molecular Formula: C65H72N6O7
• Molecular Weight: 1049.33 g/mol
• Exact Mass: 1048.55
• IUPAC Name: 3-benzyl-5-(4-pentoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(4-hydroxybutoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one
• SMILES: CCCCCOc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1.CCOC(OCC)C(=O)Cc1ccccc1.OCCCCOc1ccc(-c2cn3c(O)c(Cc4ccccc4)nc3c(Cc3ccccc3)n2)cc1
• InChI: InChI=1S/C30H29N3O3.C22H25N3O.C13H18O3/c34-17-7-8-18-36-25-15-13-24(14-16-25)28-21-33-29(26(31-28)19-22-9-3-1-4-10-22)32-27(30(33)35)20-23-11-5-2-6-12-23;1-2-3-7-14-26-19-12-10-18(11-13-19)21-16-24-22(23)20(25-21)15-17-8-5-4-6-9-17;1-3-15-13(16-4-2)12(14)10-11-8-6-5-7-9-11/h1-6,9-16,21,34-35H,7-8,17-20H2;4-6,8-13,16H,2-3,7,14-15H2,1H3,(H2,23,24);5-9,13H,3-4,10H2,1-2H3
• InChIKey: JYHCKHVUDCJDJF-UHFFFAOYSA-N
• XLogP: 12.52
• TPSA: 176.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 25
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1049.33
LogP ≤ 5	12.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-pentoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(4-hydroxybutoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one?

The IUPAC name of 3-benzyl-5-(4-pentoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(4-hydroxybutoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one (CID 158787395) is 3-benzyl-5-(4-pentoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(4-hydroxybutoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one.

What is the SMILES notation for 3-benzyl-5-(4-pentoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(4-hydroxybutoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one?

The canonical SMILES for 3-benzyl-5-(4-pentoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(4-hydroxybutoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one is CCCCCOc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1.CCOC(OCC)C(=O)Cc1ccccc1.OCCCCOc1ccc(-c2cn3c(O)c(Cc4ccccc4)nc3c(Cc3ccccc3)n2)cc1.

What is the InChIKey of 3-benzyl-5-(4-pentoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(4-hydroxybutoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one?

The InChIKey is JYHCKHVUDCJDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3.C22H25N3O.C13H18O3/c34-17-7-8-18-36-25-15-13-24(14-16-25)28-21-33-29(26(31-28)19-22-9-3-1-4-10-22)32-27(30(33)35)20-23-11-5-2-6-12-23;1-2-3-7-14-26-19-12-10-18(11-13-19)21-16-24-22(23)20(25-21)15-17-8-5-4-6-9-17;1-3-15-13(16-4-2)12(14)10-11-8-6-5-7-9-11/h1-6,9-16,21,34-35H,7-8,17-20H2;4-6,8-13,16H,2-3,7,14-15H2,1H3,(H2,23,24);5-9,13H,3-4,10H2,1-2H3.

What are the key properties of 3-benzyl-5-(4-pentoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(4-hydroxybutoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one?

3-benzyl-5-(4-pentoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(4-hydroxybutoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one has a molecular weight of 1049.33 g/mol, XLogP of 12.52, 25 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-5-(4-pentoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(4-hydroxybutoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one is sourced from PubChem (CID 158787395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).