6-bromo-8-methylsulfanylimidazo[1,2-a]pyrazine;tert-butyl 5-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methane

C41H60BBrN8O6S2 — CID 158937234

About 6-bromo-8-methylsulfanylimidazo[1,2-a]pyrazine;tert-butyl 5-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methane

6-bromo-8-methylsulfanylimidazo[1,2-a]pyrazine;tert-butyl 5-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methane (PubChem CID 158937234) has the molecular formula C41H60BBrN8O6S2 and a molecular weight of 915.83 g/mol. Its IUPAC name is 6-bromo-8-methylsulfanylimidazo[1,2-a]pyrazine;tert-butyl 5-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methane.

Molecular Properties

• Compound Name: 6-bromo-8-methylsulfanylimidazo[1,2-a]pyrazine;tert-butyl 5-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methane
• PubChem CID: 158937234
• Molecular Formula: C41H60BBrN8O6S2
• Molecular Weight: 915.83 g/mol
• Exact Mass: 914.34
• IUPAC Name: 6-bromo-8-methylsulfanylimidazo[1,2-a]pyrazine;tert-butyl 5-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methane
• SMILES: C.CC(C)(C)OC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1.CSc1nc(Br)cn2ccnc12.CSc1nc(C2=CCCN(C(=O)OC(C)(C)C)C2)cn2ccnc12
• InChI: InChI=1S/C17H22N4O2S.C16H28BNO4.C7H6BrN3S.CH4/c1-17(2,3)23-16(22)21-8-5-6-12(10-21)13-11-20-9-7-18-14(20)15(19-13)24-4;1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17;1-12-7-6-9-2-3-11(6)4-5(8)10-7;/h6-7,9,11H,5,8,10H2,1-4H3;9H,8,10-11H2,1-7H3;2-4H,1H3;1H4
• InChIKey: JJULSWKFDULBMR-UHFFFAOYSA-N
• XLogP: 9.51
• TPSA: 137.92 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	915.83
LogP ≤ 5	9.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methylsulfanylimidazo[1,2-a]pyrazine;tert-butyl 5-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methane?

The IUPAC name of 6-bromo-8-methylsulfanylimidazo[1,2-a]pyrazine;tert-butyl 5-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methane (CID 158937234) is 6-bromo-8-methylsulfanylimidazo[1,2-a]pyrazine;tert-butyl 5-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methane.

What is the SMILES notation for 6-bromo-8-methylsulfanylimidazo[1,2-a]pyrazine;tert-butyl 5-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methane?

The canonical SMILES for 6-bromo-8-methylsulfanylimidazo[1,2-a]pyrazine;tert-butyl 5-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methane is C.CC(C)(C)OC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1.CSc1nc(Br)cn2ccnc12.CSc1nc(C2=CCCN(C(=O)OC(C)(C)C)C2)cn2ccnc12.

What is the InChIKey of 6-bromo-8-methylsulfanylimidazo[1,2-a]pyrazine;tert-butyl 5-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methane?

The InChIKey is JJULSWKFDULBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S.C16H28BNO4.C7H6BrN3S.CH4/c1-17(2,3)23-16(22)21-8-5-6-12(10-21)13-11-20-9-7-18-14(20)15(19-13)24-4;1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17;1-12-7-6-9-2-3-11(6)4-5(8)10-7;/h6-7,9,11H,5,8,10H2,1-4H3;9H,8,10-11H2,1-7H3;2-4H,1H3;1H4.

What are the key properties of 6-bromo-8-methylsulfanylimidazo[1,2-a]pyrazine;tert-butyl 5-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methane?

6-bromo-8-methylsulfanylimidazo[1,2-a]pyrazine;tert-butyl 5-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methane has a molecular weight of 915.83 g/mol, XLogP of 9.51, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-methylsulfanylimidazo[1,2-a]pyrazine;tert-butyl 5-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methane is sourced from PubChem (CID 158937234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).