1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-[6-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(5-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(6-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

C144H148N30O8 — CID 158826539

About 1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-[6-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(5-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(6-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-[6-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(5-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(6-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 158826539) has the molecular formula C144H148N30O8 and a molecular weight of 2426.97 g/mol. Its IUPAC name is 1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-[6-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(5-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(6-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-[6-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(5-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(6-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
• PubChem CID: 158826539
• Molecular Formula: C144H148N30O8
• Molecular Weight: 2426.97 g/mol
• Exact Mass: 2425.21
• IUPAC Name: 1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-[6-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(5-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(6-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
• SMILES: [C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2CCn3cc(-c4ccccc4OC)nc3C2)cc1.[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2Cc3nc(-c4ccccc4)cn3C(CCCC)C2)cc1.[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2Cc3nc(-c4ccccc4)cn3CC2CCCC)cc1.[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2Cc3nc(-c4ccccc4OC)cn3C(CCCC)C2)cc1.[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2Cc3nc(-c4ccccc4OC)cn3CC2CCCC)cc1
• InChI: InChI=1S/2C30H32N6O2.2C29H30N6O.C26H24N6O2/c1-4-5-8-24-18-34(20-29-33-27(19-36(24)29)26-9-6-7-10-28(26)38-3)30(37)15-25-16-32-21-35(25)17-22-11-13-23(31-2)14-12-22;1-4-5-8-24-18-34-19-27(26-9-6-7-10-28(26)38-3)33-29(34)20-36(24)30(37)15-25-16-32-21-35(25)17-22-11-13-23(31-2)14-12-22;1-3-4-10-25-18-33(20-28-32-27(19-35(25)28)23-8-6-5-7-9-23)29(36)15-26-16-31-21-34(26)17-22-11-13-24(30-2)14-12-22;1-3-4-10-25-18-33-19-27(23-8-6-5-7-9-23)32-28(33)20-35(25)29(36)15-26-16-31-21-34(26)17-22-11-13-24(30-2)14-12-22;1-27-20-9-7-19(8-10-20)15-32-18-28-14-21(32)13-26(33)31-12-11-30-16-23(29-25(30)17-31)22-5-3-4-6-24(22)34-2/h2*6-7,9-14,16,19,21,24H,4-5,8,15,17-18,20H2,1,3H3;2*5-9,11-14,16,19,21,25H,3-4,10,15,17-18,20H2,1H3;3-10,14,16,18H,11-13,15,17H2,2H3
• InChIKey: IWNHIBRYAAULHD-UHFFFAOYSA-N
• XLogP: 26.26
• TPSA: 329.24 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2426.97
LogP ≤ 5	26.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-[6-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(5-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(6-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?

The IUPAC name of 1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-[6-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(5-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(6-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (CID 158826539) is 1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-[6-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(5-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(6-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

What is the SMILES notation for 1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-[6-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(5-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(6-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?

The canonical SMILES for 1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-[6-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(5-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(6-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is [C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2CCn3cc(-c4ccccc4OC)nc3C2)cc1.[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2Cc3nc(-c4ccccc4)cn3C(CCCC)C2)cc1.[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2Cc3nc(-c4ccccc4)cn3CC2CCCC)cc1.[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2Cc3nc(-c4ccccc4OC)cn3C(CCCC)C2)cc1.[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2Cc3nc(-c4ccccc4OC)cn3CC2CCCC)cc1.

What is the InChIKey of 1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-[6-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(5-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(6-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?

The InChIKey is IWNHIBRYAAULHD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H32N6O2.2C29H30N6O.C26H24N6O2/c1-4-5-8-24-18-34(20-29-33-27(19-36(24)29)26-9-6-7-10-28(26)38-3)30(37)15-25-16-32-21-35(25)17-22-11-13-23(31-2)14-12-22;1-4-5-8-24-18-34-19-27(26-9-6-7-10-28(26)38-3)33-29(34)20-36(24)30(37)15-25-16-32-21-35(25)17-22-11-13-23(31-2)14-12-22;1-3-4-10-25-18-33(20-28-32-27(19-35(25)28)23-8-6-5-7-9-23)29(36)15-26-16-31-21-34(26)17-22-11-13-24(30-2)14-12-22;1-3-4-10-25-18-33-19-27(23-8-6-5-7-9-23)32-28(33)20-35(25)29(36)15-26-16-31-21-34(26)17-22-11-13-24(30-2)14-12-22;1-27-20-9-7-19(8-10-20)15-32-18-28-14-21(32)13-26(33)31-12-11-30-16-23(29-25(30)17-31)22-5-3-4-6-24(22)34-2/h2*6-7,9-14,16,19,21,24H,4-5,8,15,17-18,20H2,1,3H3;2*5-9,11-14,16,19,21,25H,3-4,10,15,17-18,20H2,1H3;3-10,14,16,18H,11-13,15,17H2,2H3.

What are the key properties of 1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-[6-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(5-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(6-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?

1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-[6-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(5-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(6-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 2426.97 g/mol, XLogP of 26.26, 40 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-[6-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(5-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(6-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 158826539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).