8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol

C160H126N20O20S2 — CID 160676585

IUPAC8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol
SMILESCN(C)c1ccc(-c2nc(-c3ccc(O)cc3)cn3c(O)c(Cc4ccc(O)cc4)nc23)cc1.O=[N+]([O-])c1ccc(-c2nc(-c3ccc(O)cc3)cn3c(O)c(Cc4ccc(O)cc4)nc23)cc1.Oc1ccc(Cc2nc3c(-c4ccc(-c5cccs5)s4)nc(-c4ccc(O)cc4)cn3c2O)cc1.Oc1ccc(Cc2nc3c(C#Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.Oc1ccc(Cc2nc3c(CCc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.Oc1ccc(Cc2nc3c(CCc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1
InChIInChI=1S/C27H24N4O3.C27H19N3O3S2.2C27H23N3O3.C27H19N3O3.C25H18N4O5/c1-30(2)20-9-5-19(6-10-20)25-26-29-23(15-17-3-11-21(32)12-4-17)27(34)31(26)16-24(28-25)18-7-13-22(33)14-8-18;31-18-7-3-16(4-8-18)14-20-27(33)30-15-21(17-5-9-19(32)10-6-17)28-25(26(30)29-20)24-12-11-23(35-24)22-2-1-13-34-22;3*31-21-11-6-19(7-12-21)16-24-27(33)30-17-25(20-9-13-22(32)14-10-20)28-23(26(30)29-24)15-8-18-4-2-1-3-5-18;30-19-9-1-15(2-10-19)13-21-25(32)28-14-22(16-5-11-20(31)12-6-16)26-23(24(28)27-21)17-3-7-18(8-4-17)29(33)34/h3-14,16,32-34H,15H2,1-2H3;1-13,15,31-33H,14H2;2*1-7,9-14,17,31-33H,8,15-16H2;1-7,9-14,17,31-33H,16H2;1-12,14,30-32H,13H2
InChIKeyBZOINAMQGZTPGT-UHFFFAOYSA-N
MW2713.02 g/mol
LogP30.36
Rot. Bonds30

About 8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol

8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 160676585) has the molecular formula C160H126N20O20S2 and a molecular weight of 2713.02 g/mol. Its IUPAC name is 8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID160676585
Molecular FormulaC160H126N20O20S2
Molecular Weight2713.02 g/mol
Exact Mass2710.89
IUPAC Name8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol
SMILESCN(C)c1ccc(-c2nc(-c3ccc(O)cc3)cn3c(O)c(Cc4ccc(O)cc4)nc23)cc1.O=[N+]([O-])c1ccc(-c2nc(-c3ccc(O)cc3)cn3c(O)c(Cc4ccc(O)cc4)nc23)cc1.Oc1ccc(Cc2nc3c(-c4ccc(-c5cccs5)s4)nc(-c4ccc(O)cc4)cn3c2O)cc1.Oc1ccc(Cc2nc3c(C#Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.Oc1ccc(Cc2nc3c(CCc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.Oc1ccc(Cc2nc3c(CCc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1
InChIInChI=1S/C27H24N4O3.C27H19N3O3S2.2C27H23N3O3.C27H19N3O3.C25H18N4O5/c1-30(2)20-9-5-19(6-10-20)25-26-29-23(15-17-3-11-21(32)12-4-17)27(34)31(26)16-24(28-25)18-7-13-22(33)14-8-18;31-18-7-3-16(4-8-18)14-20-27(33)30-15-21(17-5-9-19(32)10-6-17)28-25(26(30)29-20)24-12-11-23(35-24)22-2-1-13-34-22;3*31-21-11-6-19(7-12-21)16-24-27(33)30-17-25(20-9-13-22(32)14-10-20)28-23(26(30)29-24)15-8-18-4-2-1-3-5-18;30-19-9-1-15(2-10-19)13-21-25(32)28-14-22(16-5-11-20(31)12-6-16)26-23(24(28)27-21)17-3-7-18(8-4-17)29(33)34/h3-14,16,32-34H,15H2,1-2H3;1-13,15,31-33H,14H2;2*1-7,9-14,17,31-33H,8,15-16H2;1-7,9-14,17,31-33H,16H2;1-12,14,30-32H,13H2
InChIKeyBZOINAMQGZTPGT-UHFFFAOYSA-N
XLogP30.36
TPSA591.66 Ų
H-Bond Donors18
H-Bond Acceptors41
Rotatable Bonds30
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002713.02
LogP ≤ 530.36
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol (CID 160676585) is 8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol is CN(C)c1ccc(-c2nc(-c3ccc(O)cc3)cn3c(O)c(Cc4ccc(O)cc4)nc23)cc1.O=[N+]([O-])c1ccc(-c2nc(-c3ccc(O)cc3)cn3c(O)c(Cc4ccc(O)cc4)nc23)cc1.Oc1ccc(Cc2nc3c(-c4ccc(-c5cccs5)s4)nc(-c4ccc(O)cc4)cn3c2O)cc1.Oc1ccc(Cc2nc3c(C#Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.Oc1ccc(Cc2nc3c(CCc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.Oc1ccc(Cc2nc3c(CCc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.
What is the InChIKey of 8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is BZOINAMQGZTPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3.C27H19N3O3S2.2C27H23N3O3.C27H19N3O3.C25H18N4O5/c1-30(2)20-9-5-19(6-10-20)25-26-29-23(15-17-3-11-21(32)12-4-17)27(34)31(26)16-24(28-25)18-7-13-22(33)14-8-18;31-18-7-3-16(4-8-18)14-20-27(33)30-15-21(17-5-9-19(32)10-6-17)28-25(26(30)29-20)24-12-11-23(35-24)22-2-1-13-34-22;3*31-21-11-6-19(7-12-21)16-24-27(33)30-17-25(20-9-13-22(32)14-10-20)28-23(26(30)29-24)15-8-18-4-2-1-3-5-18;30-19-9-1-15(2-10-19)13-21-25(32)28-14-22(16-5-11-20(31)12-6-16)26-23(24(28)27-21)17-3-7-18(8-4-17)29(33)34/h3-14,16,32-34H,15H2,1-2H3;1-13,15,31-33H,14H2;2*1-7,9-14,17,31-33H,8,15-16H2;1-7,9-14,17,31-33H,16H2;1-12,14,30-32H,13H2.
What are the key properties of 8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol?
8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 2713.02 g/mol, XLogP of 30.36, 30 rotatable bonds, 18 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 160676585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).