5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide

C111H83F9N14O5 — CID 163764179

IUPAC5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5)cnc34)ccc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccccc5F)cnc34)ccc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccnc5)c(CO)nc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccnc5F)cnc34)ccc2C(F)(F)F)cc1
InChIInChI=1S/C28H21F3N4O2.2C28H22FN3O.C27H18F4N4O/c1-17-6-9-20(10-7-17)33-27(37)22-14-18(8-11-23(22)28(29,30)31)21-5-3-13-35-25(19-4-2-12-32-15-19)24(16-36)34-26(21)35;1-18-8-12-23(13-9-18)31-28(33)25-16-20(11-10-19(25)2)24-7-4-14-32-26(17-30-27(24)32)21-5-3-6-22(29)15-21;1-18-9-13-21(14-10-18)31-28(33)24-16-20(12-11-19(24)2)22-7-5-15-32-26(17-30-27(22)32)23-6-3-4-8-25(23)29;1-16-6-9-18(10-7-16)34-26(36)21-14-17(8-11-22(21)27(29,30)31)19-5-3-13-35-23(15-33-25(19)35)20-4-2-12-32-24(20)28/h2-15,36H,16H2,1H3,(H,33,37);2*3-17H,1-2H3,(H,31,33);2-15H,1H3,(H,34,36)
InChIKeyMAUMBPFFAOYSTM-UHFFFAOYSA-N
MW1863.96 g/mol
LogP26.27
Rot. Bonds17

About 5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide

5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 163764179) has the molecular formula C111H83F9N14O5 and a molecular weight of 1863.96 g/mol. Its IUPAC name is 5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
PubChem CID163764179
Molecular FormulaC111H83F9N14O5
Molecular Weight1863.96 g/mol
Exact Mass1862.65
IUPAC Name5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5)cnc34)ccc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccccc5F)cnc34)ccc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccnc5)c(CO)nc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccnc5F)cnc34)ccc2C(F)(F)F)cc1
InChIInChI=1S/C28H21F3N4O2.2C28H22FN3O.C27H18F4N4O/c1-17-6-9-20(10-7-17)33-27(37)22-14-18(8-11-23(22)28(29,30)31)21-5-3-13-35-25(19-4-2-12-32-15-19)24(16-36)34-26(21)35;1-18-8-12-23(13-9-18)31-28(33)25-16-20(11-10-19(25)2)24-7-4-14-32-26(17-30-27(24)32)21-5-3-6-22(29)15-21;1-18-9-13-21(14-10-18)31-28(33)24-16-20(12-11-19(24)2)22-7-5-15-32-26(17-30-27(22)32)23-6-3-4-8-25(23)29;1-16-6-9-18(10-7-16)34-26(36)21-14-17(8-11-22(21)27(29,30)31)19-5-3-13-35-23(15-33-25(19)35)20-4-2-12-32-24(20)28/h2-15,36H,16H2,1H3,(H,33,37);2*3-17H,1-2H3,(H,31,33);2-15H,1H3,(H,34,36)
InChIKeyMAUMBPFFAOYSTM-UHFFFAOYSA-N
XLogP26.27
TPSA231.61 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms139
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001863.96
LogP ≤ 526.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (CID 163764179) is 5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5)cnc34)ccc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccccc5F)cnc34)ccc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccnc5)c(CO)nc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccnc5F)cnc34)ccc2C(F)(F)F)cc1.
What is the InChIKey of 5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is MAUMBPFFAOYSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N4O2.2C28H22FN3O.C27H18F4N4O/c1-17-6-9-20(10-7-17)33-27(37)22-14-18(8-11-23(22)28(29,30)31)21-5-3-13-35-25(19-4-2-12-32-15-19)24(16-36)34-26(21)35;1-18-8-12-23(13-9-18)31-28(33)25-16-20(11-10-19(25)2)24-7-4-14-32-26(17-30-27(24)32)21-5-3-6-22(29)15-21;1-18-9-13-21(14-10-18)31-28(33)24-16-20(12-11-19(24)2)22-7-5-15-32-26(17-30-27(22)32)23-6-3-4-8-25(23)29;1-16-6-9-18(10-7-16)34-26(36)21-14-17(8-11-22(21)27(29,30)31)19-5-3-13-35-23(15-33-25(19)35)20-4-2-12-32-24(20)28/h2-15,36H,16H2,1H3,(H,33,37);2*3-17H,1-2H3,(H,31,33);2-15H,1H3,(H,34,36).
What are the key properties of 5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 1863.96 g/mol, XLogP of 26.27, 17 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 163764179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).