6-bromo-8-[3-(4-fluoro-1H-indol-3-yl)propyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;5-bromo-3-fluoro-2-methylpyridine;2,5-dibromo-3-fluoropyridine;bis(N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-6-(5-fluoro-6-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine);3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C106H119B4Br4F8N19O8 — CID 158874372

About 6-bromo-8-[3-(4-fluoro-1H-indol-3-yl)propyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;5-bromo-3-fluoro-2-methylpyridine;2,5-dibromo-3-fluoropyridine;bis(N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-6-(5-fluoro-6-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine);3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

6-bromo-8-[3-(4-fluoro-1H-indol-3-yl)propyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;5-bromo-3-fluoro-2-methylpyridine;2,5-dibromo-3-fluoropyridine;bis(N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-6-(5-fluoro-6-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine);3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158874372) has the molecular formula C106H119B4Br4F8N19O8 and a molecular weight of 2302.09 g/mol. Its IUPAC name is 6-bromo-8-[3-(4-fluoro-1H-indol-3-yl)propyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;5-bromo-3-fluoro-2-methylpyridine;2,5-dibromo-3-fluoropyridine;bis(N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-6-(5-fluoro-6-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine);3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 6-bromo-8-[3-(4-fluoro-1H-indol-3-yl)propyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;5-bromo-3-fluoro-2-methylpyridine;2,5-dibromo-3-fluoropyridine;bis(N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-6-(5-fluoro-6-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine);3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158874372
• Molecular Formula: C106H119B4Br4F8N19O8
• Molecular Weight: 2302.09 g/mol
• Exact Mass: 2297.65
• IUPAC Name: 6-bromo-8-[3-(4-fluoro-1H-indol-3-yl)propyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;5-bromo-3-fluoro-2-methylpyridine;2,5-dibromo-3-fluoropyridine;bis(N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-6-(5-fluoro-6-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine);3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C=C(C)c1cnc2c(CCCc3c[nH]c4cccc(F)c34)nc(Br)cn12.CB(O)O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1ncc(-c2cn3c(C(C)C)cnc3c(NCCc3c[nH]c4cccc(F)c34)n2)cc1F.Cc1ncc(-c2cn3c(C(C)C)cnc3c(NCCc3c[nH]c4cccc(F)c34)n2)cc1F.Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F.Cc1ncc(Br)cc1F.Fc1cc(Br)cnc1Br
• InChI: InChI=1S/2C25H24F2N6.C20H18BrFN4.C12H24B2O4.C12H17BFNO2.C6H5BrFN.C5H2Br2FN.CH5BO2/c2*1-14(2)22-12-31-25-24(28-8-7-16-10-30-20-6-4-5-18(26)23(16)20)32-21(13-33(22)25)17-9-19(27)15(3)29-11-17;1-12(2)17-10-24-20-16(25-18(21)11-26(17)20)8-3-5-13-9-23-15-7-4-6-14(22)19(13)15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8-10(14)6-9(7-15-8)13-16-11(2,3)12(4,5)17-13;1-4-6(8)2-5(7)3-9-4;6-3-1-4(8)5(7)9-2-3;1-2(3)4/h2*4-6,9-14,30H,7-8H2,1-3H3,(H,28,32);4,6-7,9-11,23H,1,3,5,8H2,2H3;1-8H3;6-7H,1-5H3;2-3H,1H3;1-2H;3-4H,1H3
• InChIKey: JCGCZZVXMGGGBV-UHFFFAOYSA-N
• XLogP: 24.80
• TPSA: 322.29 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2302.09
LogP ≤ 5	24.80
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-[3-(4-fluoro-1H-indol-3-yl)propyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;5-bromo-3-fluoro-2-methylpyridine;2,5-dibromo-3-fluoropyridine;bis(N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-6-(5-fluoro-6-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine);3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 6-bromo-8-[3-(4-fluoro-1H-indol-3-yl)propyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;5-bromo-3-fluoro-2-methylpyridine;2,5-dibromo-3-fluoropyridine;bis(N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-6-(5-fluoro-6-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine);3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158874372) is 6-bromo-8-[3-(4-fluoro-1H-indol-3-yl)propyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;5-bromo-3-fluoro-2-methylpyridine;2,5-dibromo-3-fluoropyridine;bis(N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-6-(5-fluoro-6-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine);3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 6-bromo-8-[3-(4-fluoro-1H-indol-3-yl)propyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;5-bromo-3-fluoro-2-methylpyridine;2,5-dibromo-3-fluoropyridine;bis(N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-6-(5-fluoro-6-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine);3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 6-bromo-8-[3-(4-fluoro-1H-indol-3-yl)propyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;5-bromo-3-fluoro-2-methylpyridine;2,5-dibromo-3-fluoropyridine;bis(N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-6-(5-fluoro-6-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine);3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C=C(C)c1cnc2c(CCCc3c[nH]c4cccc(F)c34)nc(Br)cn12.CB(O)O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1ncc(-c2cn3c(C(C)C)cnc3c(NCCc3c[nH]c4cccc(F)c34)n2)cc1F.Cc1ncc(-c2cn3c(C(C)C)cnc3c(NCCc3c[nH]c4cccc(F)c34)n2)cc1F.Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F.Cc1ncc(Br)cc1F.Fc1cc(Br)cnc1Br.

What is the InChIKey of 6-bromo-8-[3-(4-fluoro-1H-indol-3-yl)propyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;5-bromo-3-fluoro-2-methylpyridine;2,5-dibromo-3-fluoropyridine;bis(N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-6-(5-fluoro-6-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine);3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is JCGCZZVXMGGGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H24F2N6.C20H18BrFN4.C12H24B2O4.C12H17BFNO2.C6H5BrFN.C5H2Br2FN.CH5BO2/c2*1-14(2)22-12-31-25-24(28-8-7-16-10-30-20-6-4-5-18(26)23(16)20)32-21(13-33(22)25)17-9-19(27)15(3)29-11-17;1-12(2)17-10-24-20-16(25-18(21)11-26(17)20)8-3-5-13-9-23-15-7-4-6-14(22)19(13)15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8-10(14)6-9(7-15-8)13-16-11(2,3)12(4,5)17-13;1-4-6(8)2-5(7)3-9-4;6-3-1-4(8)5(7)9-2-3;1-2(3)4/h2*4-6,9-14,30H,7-8H2,1-3H3,(H,28,32);4,6-7,9-11,23H,1,3,5,8H2,2H3;1-8H3;6-7H,1-5H3;2-3H,1H3;1-2H;3-4H,1H3.

What are the key properties of 6-bromo-8-[3-(4-fluoro-1H-indol-3-yl)propyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;5-bromo-3-fluoro-2-methylpyridine;2,5-dibromo-3-fluoropyridine;bis(N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-6-(5-fluoro-6-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine);3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

6-bromo-8-[3-(4-fluoro-1H-indol-3-yl)propyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;5-bromo-3-fluoro-2-methylpyridine;2,5-dibromo-3-fluoropyridine;bis(N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-6-(5-fluoro-6-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine);3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2302.09 g/mol, XLogP of 24.80, 19 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-[3-(4-fluoro-1H-indol-3-yl)propyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;5-bromo-3-fluoro-2-methylpyridine;2,5-dibromo-3-fluoropyridine;bis(N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-6-(5-fluoro-6-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine);3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158874372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).