6,8-dibromoimidazo[1,2-a]pyrazine;methane;8-methoxy-8-oxooctanoic acid;methyl 8-[4-(4-aminophenyl)piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole

C143H206BBr3N26O22 — CID 163894102

About 6,8-dibromoimidazo[1,2-a]pyrazine;methane;8-methoxy-8-oxooctanoic acid;methyl 8-[4-(4-aminophenyl)piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole

6,8-dibromoimidazo[1,2-a]pyrazine;methane;8-methoxy-8-oxooctanoic acid;methyl 8-[4-(4-aminophenyl)piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole (PubChem CID 163894102) has the molecular formula C143H206BBr3N26O22 and a molecular weight of 2891.90 g/mol. Its IUPAC name is 6,8-dibromoimidazo[1,2-a]pyrazine;methane;8-methoxy-8-oxooctanoic acid;methyl 8-[4-(4-aminophenyl)piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole.

Molecular Properties

• Compound Name: 6,8-dibromoimidazo[1,2-a]pyrazine;methane;8-methoxy-8-oxooctanoic acid;methyl 8-[4-(4-aminophenyl)piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole
• PubChem CID: 163894102
• Molecular Formula: C143H206BBr3N26O22
• Molecular Weight: 2891.90 g/mol
• Exact Mass: 2887.34
• IUPAC Name: 6,8-dibromoimidazo[1,2-a]pyrazine;methane;8-methoxy-8-oxooctanoic acid;methyl 8-[4-(4-aminophenyl)piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole
• SMILES: Brc1cn2ccnc2c(Br)n1.C.C.C.C.C.C.C.C.CC1(C)OB(c2ccc3c(c2)CN=C3)OC1(C)C.COC(=O)CCCCCCC(=O)N1CCN(c2ccc(N)cc2)CC1.COC(=O)CCCCCCC(=O)N1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cc2)CC1.COC(=O)CCCCCCC(=O)N1CCN(c2ccc(Nc3nc(Br)cn4ccnc34)cc2)CC1.COC(=O)CCCCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.COC(=O)CCCCCCC(=O)O.O=[N+]([O-])c1ccc(N2CCNCC2)cc1
• InChI: InChI=1S/C33H37N7O3.C25H31BrN6O3.C19H27N3O5.C19H29N3O3.C14H18BNO2.C10H13N3O2.C9H16O4.C6H3Br2N3.8CH4/c1-43-31(42)7-5-3-2-4-6-30(41)39-18-16-38(17-19-39)28-12-10-27(11-13-28)36-32-33-35-14-15-40(33)23-29(37-32)24-8-9-25-21-34-22-26(25)20-24;1-35-23(34)7-5-3-2-4-6-22(33)31-16-14-30(15-17-31)20-10-8-19(9-11-20)28-24-25-27-12-13-32(25)18-21(26)29-24;1-27-19(24)7-5-3-2-4-6-18(23)21-14-12-20(13-15-21)16-8-10-17(11-9-16)22(25)26;1-25-19(24)7-5-3-2-4-6-18(23)22-14-12-21(13-15-22)17-10-8-16(20)9-11-17;1-13(2)14(3,4)18-15(17-13)12-6-5-10-8-16-9-11(10)7-12;14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12;1-13-9(12)7-5-3-2-4-6-8(10)11;7-4-3-11-2-1-9-6(11)5(8)10-4;;;;;;;;/h8-15,20-21,23H,2-7,16-19,22H2,1H3,(H,36,37);8-13,18H,2-7,14-17H2,1H3,(H,28,29);8-11H,2-7,12-15H2,1H3;8-11H,2-7,12-15,20H2,1H3;5-8H,9H2,1-4H3;1-4,11H,5-8H2;2-7H2,1H3,(H,10,11);1-3H;8*1H4
• InChIKey: QECGDVQULVLRPI-UHFFFAOYSA-N
• XLogP: 26.67
• TPSA: 548.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 48
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2891.90
LogP ≤ 5	26.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromoimidazo[1,2-a]pyrazine;methane;8-methoxy-8-oxooctanoic acid;methyl 8-[4-(4-aminophenyl)piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The IUPAC name of 6,8-dibromoimidazo[1,2-a]pyrazine;methane;8-methoxy-8-oxooctanoic acid;methyl 8-[4-(4-aminophenyl)piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole (CID 163894102) is 6,8-dibromoimidazo[1,2-a]pyrazine;methane;8-methoxy-8-oxooctanoic acid;methyl 8-[4-(4-aminophenyl)piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole.

What is the SMILES notation for 6,8-dibromoimidazo[1,2-a]pyrazine;methane;8-methoxy-8-oxooctanoic acid;methyl 8-[4-(4-aminophenyl)piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The canonical SMILES for 6,8-dibromoimidazo[1,2-a]pyrazine;methane;8-methoxy-8-oxooctanoic acid;methyl 8-[4-(4-aminophenyl)piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole is Brc1cn2ccnc2c(Br)n1.C.C.C.C.C.C.C.C.CC1(C)OB(c2ccc3c(c2)CN=C3)OC1(C)C.COC(=O)CCCCCCC(=O)N1CCN(c2ccc(N)cc2)CC1.COC(=O)CCCCCCC(=O)N1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cc2)CC1.COC(=O)CCCCCCC(=O)N1CCN(c2ccc(Nc3nc(Br)cn4ccnc34)cc2)CC1.COC(=O)CCCCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.COC(=O)CCCCCCC(=O)O.O=[N+]([O-])c1ccc(N2CCNCC2)cc1.

What is the InChIKey of 6,8-dibromoimidazo[1,2-a]pyrazine;methane;8-methoxy-8-oxooctanoic acid;methyl 8-[4-(4-aminophenyl)piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The InChIKey is QECGDVQULVLRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N7O3.C25H31BrN6O3.C19H27N3O5.C19H29N3O3.C14H18BNO2.C10H13N3O2.C9H16O4.C6H3Br2N3.8CH4/c1-43-31(42)7-5-3-2-4-6-30(41)39-18-16-38(17-19-39)28-12-10-27(11-13-28)36-32-33-35-14-15-40(33)23-29(37-32)24-8-9-25-21-34-22-26(25)20-24;1-35-23(34)7-5-3-2-4-6-22(33)31-16-14-30(15-17-31)20-10-8-19(9-11-20)28-24-25-27-12-13-32(25)18-21(26)29-24;1-27-19(24)7-5-3-2-4-6-18(23)21-14-12-20(13-15-21)16-8-10-17(11-9-16)22(25)26;1-25-19(24)7-5-3-2-4-6-18(23)22-14-12-21(13-15-22)17-10-8-16(20)9-11-17;1-13(2)14(3,4)18-15(17-13)12-6-5-10-8-16-9-11(10)7-12;14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12;1-13-9(12)7-5-3-2-4-6-8(10)11;7-4-3-11-2-1-9-6(11)5(8)10-4;;;;;;;;/h8-15,20-21,23H,2-7,16-19,22H2,1H3,(H,36,37);8-13,18H,2-7,14-17H2,1H3,(H,28,29);8-11H,2-7,12-15H2,1H3;8-11H,2-7,12-15,20H2,1H3;5-8H,9H2,1-4H3;1-4,11H,5-8H2;2-7H2,1H3,(H,10,11);1-3H;8*1H4.

What are the key properties of 6,8-dibromoimidazo[1,2-a]pyrazine;methane;8-methoxy-8-oxooctanoic acid;methyl 8-[4-(4-aminophenyl)piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

6,8-dibromoimidazo[1,2-a]pyrazine;methane;8-methoxy-8-oxooctanoic acid;methyl 8-[4-(4-aminophenyl)piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole has a molecular weight of 2891.90 g/mol, XLogP of 26.67, 48 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dibromoimidazo[1,2-a]pyrazine;methane;8-methoxy-8-oxooctanoic acid;methyl 8-[4-(4-aminophenyl)piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanoate;methyl 8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole is sourced from PubChem (CID 163894102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).