tert-butyl 3-bromo-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;ethane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile

C75H84BBrF3N15O8 — CID 158903902

About tert-butyl 3-bromo-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;ethane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile

tert-butyl 3-bromo-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;ethane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 158903902) has the molecular formula C75H84BBrF3N15O8 and a molecular weight of 1471.30 g/mol. Its IUPAC name is tert-butyl 3-bromo-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;ethane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: tert-butyl 3-bromo-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;ethane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile
• PubChem CID: 158903902
• Molecular Formula: C75H84BBrF3N15O8
• Molecular Weight: 1471.30 g/mol
• Exact Mass: 1469.59
• IUPAC Name: tert-butyl 3-bromo-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;ethane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile
• SMILES: CC.CC(C)(C)OC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3ncc(C#N)n3c2)C1.CC(C)(C)OC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Br)C1.CC(C)(C)OC(=O)N1CCn2cc(-c3ccc(F)cc3)nc2C1.CC1(C)OB(c2ccc3ncc(C#N)n3c2)OC1(C)C
• InChI: InChI=1S/C25H23FN6O2.C17H19BrFN3O2.C17H20FN3O2.C14H16BN3O2.C2H6/c1-25(2,3)34-24(33)30-10-11-31-21(15-30)29-22(16-4-7-18(26)8-5-16)23(31)17-6-9-20-28-13-19(12-27)32(20)14-17;1-17(2,3)24-16(23)21-8-9-22-13(10-21)20-14(15(22)18)11-4-6-12(19)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;1-13(2)14(3,4)20-15(19-13)10-5-6-12-17-8-11(7-16)18(12)9-10;1-2/h4-9,13-14H,10-11,15H2,1-3H3;4-7H,8-10H2,1-3H3;4-7,10H,8-9,11H2,1-3H3;5-6,8-9H,1-4H3;1-2H3
• InChIKey: JFUISFRFERZQDU-UHFFFAOYSA-N
• XLogP: 14.80
• TPSA: 242.72 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 5
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1471.30
LogP ≤ 5	14.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-bromo-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;ethane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile?

The IUPAC name of tert-butyl 3-bromo-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;ethane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 158903902) is tert-butyl 3-bromo-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;ethane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile.

What is the SMILES notation for tert-butyl 3-bromo-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;ethane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile?

The canonical SMILES for tert-butyl 3-bromo-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;ethane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile is CC.CC(C)(C)OC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3ncc(C#N)n3c2)C1.CC(C)(C)OC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Br)C1.CC(C)(C)OC(=O)N1CCn2cc(-c3ccc(F)cc3)nc2C1.CC1(C)OB(c2ccc3ncc(C#N)n3c2)OC1(C)C.

What is the InChIKey of tert-butyl 3-bromo-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;ethane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile?

The InChIKey is JFUISFRFERZQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2.C17H19BrFN3O2.C17H20FN3O2.C14H16BN3O2.C2H6/c1-25(2,3)34-24(33)30-10-11-31-21(15-30)29-22(16-4-7-18(26)8-5-16)23(31)17-6-9-20-28-13-19(12-27)32(20)14-17;1-17(2,3)24-16(23)21-8-9-22-13(10-21)20-14(15(22)18)11-4-6-12(19)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;1-13(2)14(3,4)20-15(19-13)10-5-6-12-17-8-11(7-16)18(12)9-10;1-2/h4-9,13-14H,10-11,15H2,1-3H3;4-7H,8-10H2,1-3H3;4-7,10H,8-9,11H2,1-3H3;5-6,8-9H,1-4H3;1-2H3.

What are the key properties of tert-butyl 3-bromo-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;ethane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile?

tert-butyl 3-bromo-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;ethane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 1471.30 g/mol, XLogP of 14.80, 5 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-bromo-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;ethane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 158903902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).