2-bromo-1-(4-fluorophenyl)ethanone;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-3-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;2-(4-fluorophenyl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;pyrazin-2-amine

C70H70BrF5IN15O5 — CID 158157294

About 2-bromo-1-(4-fluorophenyl)ethanone;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-3-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;2-(4-fluorophenyl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;pyrazin-2-amine

2-bromo-1-(4-fluorophenyl)ethanone;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-3-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;2-(4-fluorophenyl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;pyrazin-2-amine (PubChem CID 158157294) has the molecular formula C70H70BrF5IN15O5 and a molecular weight of 1503.23 g/mol. Its IUPAC name is 2-bromo-1-(4-fluorophenyl)ethanone;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-3-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;2-(4-fluorophenyl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;pyrazin-2-amine.

Molecular Properties

• Compound Name: 2-bromo-1-(4-fluorophenyl)ethanone;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-3-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;2-(4-fluorophenyl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;pyrazin-2-amine
• PubChem CID: 158157294
• Molecular Formula: C70H70BrF5IN15O5
• Molecular Weight: 1503.23 g/mol
• Exact Mass: 1501.38
• IUPAC Name: 2-bromo-1-(4-fluorophenyl)ethanone;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-3-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;2-(4-fluorophenyl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;pyrazin-2-amine
• SMILES: CC(C)(C)OC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2I)C1.CC(C)(C)OC(=O)N1CCn2cc(-c3ccc(F)cc3)nc2C1.Fc1ccc(-c2cn3c(n2)CNCC3)cc1.Fc1ccc(-c2cn3ccncc3n2)cc1.Nc1cnccn1.O=C(CBr)c1ccc(F)cc1
• InChI: InChI=1S/C17H19FIN3O2.C17H20FN3O2.C12H12FN3.C12H8FN3.C8H6BrFO.C4H5N3/c1-17(2,3)24-16(23)21-8-9-22-13(10-21)20-14(15(22)19)11-4-6-12(18)7-5-11;1-17(2,3)23-16(22)21-9-8-20-10-14(19-15(20)11-21)12-4-6-13(18)7-5-12;2*13-10-3-1-9(2-4-10)11-8-16-6-5-14-7-12(16)15-11;9-5-8(11)6-1-3-7(10)4-2-6;5-4-3-6-1-2-7-4/h4-7H,8-10H2,1-3H3;4-7,10H,8-9,11H2,1-3H3;1-4,8,14H,5-7H2;1-8H;1-4H,5H2;1-3H,(H2,5,7)
• InChIKey: FVVQSZIRLSTUPH-UHFFFAOYSA-N
• XLogP: 14.27
• TPSA: 223.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1503.23
LogP ≤ 5	14.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-fluorophenyl)ethanone;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-3-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;2-(4-fluorophenyl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;pyrazin-2-amine?

The IUPAC name of 2-bromo-1-(4-fluorophenyl)ethanone;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-3-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;2-(4-fluorophenyl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;pyrazin-2-amine (CID 158157294) is 2-bromo-1-(4-fluorophenyl)ethanone;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-3-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;2-(4-fluorophenyl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;pyrazin-2-amine.

What is the SMILES notation for 2-bromo-1-(4-fluorophenyl)ethanone;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-3-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;2-(4-fluorophenyl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;pyrazin-2-amine?

The canonical SMILES for 2-bromo-1-(4-fluorophenyl)ethanone;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-3-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;2-(4-fluorophenyl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;pyrazin-2-amine is CC(C)(C)OC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2I)C1.CC(C)(C)OC(=O)N1CCn2cc(-c3ccc(F)cc3)nc2C1.Fc1ccc(-c2cn3c(n2)CNCC3)cc1.Fc1ccc(-c2cn3ccncc3n2)cc1.Nc1cnccn1.O=C(CBr)c1ccc(F)cc1.

What is the InChIKey of 2-bromo-1-(4-fluorophenyl)ethanone;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-3-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;2-(4-fluorophenyl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;pyrazin-2-amine?

The InChIKey is FVVQSZIRLSTUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FIN3O2.C17H20FN3O2.C12H12FN3.C12H8FN3.C8H6BrFO.C4H5N3/c1-17(2,3)24-16(23)21-8-9-22-13(10-21)20-14(15(22)19)11-4-6-12(18)7-5-11;1-17(2,3)23-16(22)21-9-8-20-10-14(19-15(20)11-21)12-4-6-13(18)7-5-12;2*13-10-3-1-9(2-4-10)11-8-16-6-5-14-7-12(16)15-11;9-5-8(11)6-1-3-7(10)4-2-6;5-4-3-6-1-2-7-4/h4-7H,8-10H2,1-3H3;4-7,10H,8-9,11H2,1-3H3;1-4,8,14H,5-7H2;1-8H;1-4H,5H2;1-3H,(H2,5,7).

What are the key properties of 2-bromo-1-(4-fluorophenyl)ethanone;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-3-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;2-(4-fluorophenyl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;pyrazin-2-amine?

2-bromo-1-(4-fluorophenyl)ethanone;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-3-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;2-(4-fluorophenyl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;pyrazin-2-amine has a molecular weight of 1503.23 g/mol, XLogP of 14.27, 6 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-(4-fluorophenyl)ethanone;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-3-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;2-(4-fluorophenyl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;pyrazin-2-amine is sourced from PubChem (CID 158157294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).