2-bromo-5-iodopyrazine;5-(5-bromopyrazin-2-yl)-2-propan-2-yloxybenzonitrile;bis(5-[5-[1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]pyrazin-2-yl]-2-propan-2-yloxybenzonitrile);5-[5-(2'-oxo-1'-propylspiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl)pyrazin-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;1'-propyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one

C140H152B2Br2IN19O15 — CID 160648090

About 2-bromo-5-iodopyrazine;5-(5-bromopyrazin-2-yl)-2-propan-2-yloxybenzonitrile;bis(5-[5-[1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]pyrazin-2-yl]-2-propan-2-yloxybenzonitrile);5-[5-(2'-oxo-1'-propylspiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl)pyrazin-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;1'-propyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one

2-bromo-5-iodopyrazine;5-(5-bromopyrazin-2-yl)-2-propan-2-yloxybenzonitrile;bis(5-[5-[1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]pyrazin-2-yl]-2-propan-2-yloxybenzonitrile);5-[5-(2'-oxo-1'-propylspiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl)pyrazin-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;1'-propyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one (PubChem CID 160648090) has the molecular formula C140H152B2Br2IN19O15 and a molecular weight of 2649.21 g/mol. Its IUPAC name is 2-bromo-5-iodopyrazine;5-(5-bromopyrazin-2-yl)-2-propan-2-yloxybenzonitrile;bis(5-[5-[1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]pyrazin-2-yl]-2-propan-2-yloxybenzonitrile);5-[5-(2'-oxo-1'-propylspiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl)pyrazin-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;1'-propyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one.

Molecular Properties

• Compound Name: 2-bromo-5-iodopyrazine;5-(5-bromopyrazin-2-yl)-2-propan-2-yloxybenzonitrile;bis(5-[5-[1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]pyrazin-2-yl]-2-propan-2-yloxybenzonitrile);5-[5-(2'-oxo-1'-propylspiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl)pyrazin-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;1'-propyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one
• PubChem CID: 160648090
• Molecular Formula: C140H152B2Br2IN19O15
• Molecular Weight: 2649.21 g/mol
• Exact Mass: 2645.93
• IUPAC Name: 2-bromo-5-iodopyrazine;5-(5-bromopyrazin-2-yl)-2-propan-2-yloxybenzonitrile;bis(5-[5-[1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]pyrazin-2-yl]-2-propan-2-yloxybenzonitrile);5-[5-(2'-oxo-1'-propylspiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl)pyrazin-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;1'-propyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one
• SMILES: Brc1cnc(I)cn1.CC(C)Oc1ccc(-c2cnc(-c3cccc4c3CCC43CC(=O)N(CCO)C3)cn2)cc1C#N.CC(C)Oc1ccc(-c2cnc(-c3cccc4c3CCC43CC(=O)N(CCO)C3)cn2)cc1C#N.CC(C)Oc1ccc(-c2cnc(Br)cn2)cc1C#N.CC(C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N.CCCN1CC2(CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)cn4)cccc32)CC1=O.CCCN1CC2(CCc3c(B4OC(C)(C)C(C)(C)O4)cccc32)CC1=O
• InChI: InChI=1S/C29H30N4O2.2C28H28N4O3.C21H30BNO3.C16H22BNO3.C14H12BrN3O.C4H2BrIN2/c1-4-12-33-18-29(14-28(33)34)11-10-22-23(6-5-7-24(22)29)26-17-31-25(16-32-26)20-8-9-27(35-19(2)3)21(13-20)15-30;2*1-18(2)35-26-7-6-19(12-20(26)14-29)24-15-31-25(16-30-24)22-4-3-5-23-21(22)8-9-28(23)13-27(34)32(17-28)10-11-33;1-6-12-23-14-21(13-18(23)24)11-10-15-16(21)8-7-9-17(15)22-25-19(2,3)20(4,5)26-22;1-11(2)19-14-8-7-13(9-12(14)10-18)17-20-15(3,4)16(5,6)21-17;1-9(2)19-13-4-3-10(5-11(13)6-16)12-7-18-14(15)8-17-12;5-3-1-8-4(6)2-7-3/h5-9,13,16-17,19H,4,10-12,14,18H2,1-3H3;2*3-7,12,15-16,18,33H,8-11,13,17H2,1-2H3;7-9H,6,10-14H2,1-5H3;7-9,11H,1-6H3;3-5,7-9H,1-2H3;1-2H
• InChIKey: RKBBVQYECXMPBB-UHFFFAOYSA-N
• XLogP: 23.92
• TPSA: 452.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2649.21
LogP ≤ 5	23.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodopyrazine;5-(5-bromopyrazin-2-yl)-2-propan-2-yloxybenzonitrile;bis(5-[5-[1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]pyrazin-2-yl]-2-propan-2-yloxybenzonitrile);5-[5-(2'-oxo-1'-propylspiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl)pyrazin-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;1'-propyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one?

The IUPAC name of 2-bromo-5-iodopyrazine;5-(5-bromopyrazin-2-yl)-2-propan-2-yloxybenzonitrile;bis(5-[5-[1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]pyrazin-2-yl]-2-propan-2-yloxybenzonitrile);5-[5-(2'-oxo-1'-propylspiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl)pyrazin-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;1'-propyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one (CID 160648090) is 2-bromo-5-iodopyrazine;5-(5-bromopyrazin-2-yl)-2-propan-2-yloxybenzonitrile;bis(5-[5-[1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]pyrazin-2-yl]-2-propan-2-yloxybenzonitrile);5-[5-(2'-oxo-1'-propylspiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl)pyrazin-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;1'-propyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one.

What is the SMILES notation for 2-bromo-5-iodopyrazine;5-(5-bromopyrazin-2-yl)-2-propan-2-yloxybenzonitrile;bis(5-[5-[1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]pyrazin-2-yl]-2-propan-2-yloxybenzonitrile);5-[5-(2'-oxo-1'-propylspiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl)pyrazin-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;1'-propyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one?

The canonical SMILES for 2-bromo-5-iodopyrazine;5-(5-bromopyrazin-2-yl)-2-propan-2-yloxybenzonitrile;bis(5-[5-[1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]pyrazin-2-yl]-2-propan-2-yloxybenzonitrile);5-[5-(2'-oxo-1'-propylspiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl)pyrazin-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;1'-propyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one is Brc1cnc(I)cn1.CC(C)Oc1ccc(-c2cnc(-c3cccc4c3CCC43CC(=O)N(CCO)C3)cn2)cc1C#N.CC(C)Oc1ccc(-c2cnc(-c3cccc4c3CCC43CC(=O)N(CCO)C3)cn2)cc1C#N.CC(C)Oc1ccc(-c2cnc(Br)cn2)cc1C#N.CC(C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N.CCCN1CC2(CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)cn4)cccc32)CC1=O.CCCN1CC2(CCc3c(B4OC(C)(C)C(C)(C)O4)cccc32)CC1=O.

What is the InChIKey of 2-bromo-5-iodopyrazine;5-(5-bromopyrazin-2-yl)-2-propan-2-yloxybenzonitrile;bis(5-[5-[1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]pyrazin-2-yl]-2-propan-2-yloxybenzonitrile);5-[5-(2'-oxo-1'-propylspiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl)pyrazin-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;1'-propyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one?

The InChIKey is RKBBVQYECXMPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2.2C28H28N4O3.C21H30BNO3.C16H22BNO3.C14H12BrN3O.C4H2BrIN2/c1-4-12-33-18-29(14-28(33)34)11-10-22-23(6-5-7-24(22)29)26-17-31-25(16-32-26)20-8-9-27(35-19(2)3)21(13-20)15-30;2*1-18(2)35-26-7-6-19(12-20(26)14-29)24-15-31-25(16-30-24)22-4-3-5-23-21(22)8-9-28(23)13-27(34)32(17-28)10-11-33;1-6-12-23-14-21(13-18(23)24)11-10-15-16(21)8-7-9-17(15)22-25-19(2,3)20(4,5)26-22;1-11(2)19-14-8-7-13(9-12(14)10-18)17-20-15(3,4)16(5,6)21-17;1-9(2)19-13-4-3-10(5-11(13)6-16)12-7-18-14(15)8-17-12;5-3-1-8-4(6)2-7-3/h5-9,13,16-17,19H,4,10-12,14,18H2,1-3H3;2*3-7,12,15-16,18,33H,8-11,13,17H2,1-2H3;7-9H,6,10-14H2,1-5H3;7-9,11H,1-6H3;3-5,7-9H,1-2H3;1-2H.

What are the key properties of 2-bromo-5-iodopyrazine;5-(5-bromopyrazin-2-yl)-2-propan-2-yloxybenzonitrile;bis(5-[5-[1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]pyrazin-2-yl]-2-propan-2-yloxybenzonitrile);5-[5-(2'-oxo-1'-propylspiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl)pyrazin-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;1'-propyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one?

2-bromo-5-iodopyrazine;5-(5-bromopyrazin-2-yl)-2-propan-2-yloxybenzonitrile;bis(5-[5-[1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]pyrazin-2-yl]-2-propan-2-yloxybenzonitrile);5-[5-(2'-oxo-1'-propylspiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl)pyrazin-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;1'-propyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one has a molecular weight of 2649.21 g/mol, XLogP of 23.92, 27 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-iodopyrazine;5-(5-bromopyrazin-2-yl)-2-propan-2-yloxybenzonitrile;bis(5-[5-[1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]pyrazin-2-yl]-2-propan-2-yloxybenzonitrile);5-[5-(2'-oxo-1'-propylspiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl)pyrazin-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;1'-propyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one is sourced from PubChem (CID 160648090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).