6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;methane

C104H87F4N13O8S — CID 157257736

IUPAC6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;methane
SMILESC.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4cccc(N)c4F)cn3c2O)cc1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4cccc(O)c4F)cn3c2O)cc1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4cccc(O)c4F)cn3c2O)o1.Oc1cccc(-c2cn3c(O)c(Cc4cccs4)nc3c(Cc3ccccc3)n2)c1F
InChIInChI=1S/C27H23FN4O.C27H22FN3O2.C25H20FN3O3.C24H18FN3O2S.CH4/c1-17-10-12-19(13-11-17)15-23-27(33)32-16-24(20-8-5-9-21(29)25(20)28)30-22(26(32)31-23)14-18-6-3-2-4-7-18;1-17-10-12-19(13-11-17)15-22-27(33)31-16-23(20-8-5-9-24(32)25(20)28)29-21(26(31)30-22)14-18-6-3-2-4-7-18;1-15-10-11-17(32-15)13-20-25(31)29-14-21(18-8-5-9-22(30)23(18)26)27-19(24(29)28-20)12-16-6-3-2-4-7-16;25-22-17(9-4-10-21(22)29)20-14-28-23(18(26-20)12-15-6-2-1-3-7-15)27-19(24(28)30)13-16-8-5-11-31-16;/h2-13,16,33H,14-15,29H2,1H3;2-13,16,32-33H,14-15H2,1H3;2-11,14,30-31H,12-13H2,1H3;1-11,14,29-30H,12-13H2;1H4
InChIKeyJNICHVVEQDOYAV-UHFFFAOYSA-N
MW1754.98 g/mol
LogP21.61
Rot. Bonds20

About 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;methane

6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;methane (PubChem CID 157257736) has the molecular formula C104H87F4N13O8S and a molecular weight of 1754.98 g/mol. Its IUPAC name is 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;methane.

Molecular Properties

Compound Name6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;methane
PubChem CID157257736
Molecular FormulaC104H87F4N13O8S
Molecular Weight1754.98 g/mol
Exact Mass1753.65
IUPAC Name6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;methane
SMILESC.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4cccc(N)c4F)cn3c2O)cc1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4cccc(O)c4F)cn3c2O)cc1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4cccc(O)c4F)cn3c2O)o1.Oc1cccc(-c2cn3c(O)c(Cc4cccs4)nc3c(Cc3ccccc3)n2)c1F
InChIInChI=1S/C27H23FN4O.C27H22FN3O2.C25H20FN3O3.C24H18FN3O2S.CH4/c1-17-10-12-19(13-11-17)15-23-27(33)32-16-24(20-8-5-9-21(29)25(20)28)30-22(26(32)31-23)14-18-6-3-2-4-7-18;1-17-10-12-19(13-11-17)15-22-27(33)31-16-23(20-8-5-9-24(32)25(20)28)29-21(26(31)30-22)14-18-6-3-2-4-7-18;1-15-10-11-17(32-15)13-20-25(31)29-14-21(18-8-5-9-22(30)23(18)26)27-19(24(29)28-20)12-16-6-3-2-4-7-16;25-22-17(9-4-10-21(22)29)20-14-28-23(18(26-20)12-15-6-2-1-3-7-15)27-19(24(28)30)13-16-8-5-11-31-16;/h2-13,16,33H,14-15,29H2,1H3;2-13,16,32-33H,14-15H2,1H3;2-11,14,30-31H,12-13H2,1H3;1-11,14,29-30H,12-13H2;1H4
InChIKeyJNICHVVEQDOYAV-UHFFFAOYSA-N
XLogP21.61
TPSA301.53 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms130
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001754.98
LogP ≤ 521.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;methane?
The IUPAC name of 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;methane (CID 157257736) is 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;methane.
What is the SMILES notation for 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;methane?
The canonical SMILES for 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;methane is C.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4cccc(N)c4F)cn3c2O)cc1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4cccc(O)c4F)cn3c2O)cc1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4cccc(O)c4F)cn3c2O)o1.Oc1cccc(-c2cn3c(O)c(Cc4cccs4)nc3c(Cc3ccccc3)n2)c1F.
What is the InChIKey of 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;methane?
The InChIKey is JNICHVVEQDOYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O.C27H22FN3O2.C25H20FN3O3.C24H18FN3O2S.CH4/c1-17-10-12-19(13-11-17)15-23-27(33)32-16-24(20-8-5-9-21(29)25(20)28)30-22(26(32)31-23)14-18-6-3-2-4-7-18;1-17-10-12-19(13-11-17)15-22-27(33)31-16-23(20-8-5-9-24(32)25(20)28)29-21(26(31)30-22)14-18-6-3-2-4-7-18;1-15-10-11-17(32-15)13-20-25(31)29-14-21(18-8-5-9-22(30)23(18)26)27-19(24(29)28-20)12-16-6-3-2-4-7-16;25-22-17(9-4-10-21(22)29)20-14-28-23(18(26-20)12-15-6-2-1-3-7-15)27-19(24(28)30)13-16-8-5-11-31-16;/h2-13,16,33H,14-15,29H2,1H3;2-13,16,32-33H,14-15H2,1H3;2-11,14,30-31H,12-13H2,1H3;1-11,14,29-30H,12-13H2;1H4.
What are the key properties of 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;methane?
6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;methane has a molecular weight of 1754.98 g/mol, XLogP of 21.61, 20 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;methane is sourced from PubChem (CID 157257736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).