5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide

C116H87F17N14O6 — CID 163471150

IUPAC5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
SMILESC.COCCOCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1-c1cccc(F)c1F.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccc(C)nc5)cnc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(C)n5)cnc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ccc2C(F)(F)F)cc1
InChIInChI=1S/C31H23F6N3O3.C28H18F5N3O.2C28H21F3N4O.CH4/c1-42-14-15-43-17-26-28(22-4-2-6-25(33)27(22)34)40-13-3-5-21(29(40)39-26)18-7-12-24(31(35,36)37)23(16-18)30(41)38-20-10-8-19(32)9-11-20;1-16-7-10-18(11-8-16)35-27(37)21-14-17(9-12-22(21)28(31,32)33)19-5-3-13-36-24(15-34-26(19)36)20-4-2-6-23(29)25(20)30;1-17-8-11-20(12-9-17)34-27(36)22-15-19(10-13-23(22)28(29,30)31)21-6-4-14-35-25(16-32-26(21)35)24-7-3-5-18(2)33-24;1-17-5-10-21(11-6-17)34-27(36)23-14-19(9-12-24(23)28(29,30)31)22-4-3-13-35-25(16-33-26(22)35)20-8-7-18(2)32-15-20;/h2-13,16H,14-15,17H2,1H3,(H,38,41);2-15H,1H3,(H,35,37);2*3-16H,1-2H3,(H,34,36);1H4
InChIKeyBWQHPUREKBHZJC-UHFFFAOYSA-N
MW2096.03 g/mol
LogP29.58
Rot. Bonds21

About 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide

5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide (PubChem CID 163471150) has the molecular formula C116H87F17N14O6 and a molecular weight of 2096.03 g/mol. Its IUPAC name is 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
PubChem CID163471150
Molecular FormulaC116H87F17N14O6
Molecular Weight2096.03 g/mol
Exact Mass2094.67
IUPAC Name5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
SMILESC.COCCOCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1-c1cccc(F)c1F.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccc(C)nc5)cnc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(C)n5)cnc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ccc2C(F)(F)F)cc1
InChIInChI=1S/C31H23F6N3O3.C28H18F5N3O.2C28H21F3N4O.CH4/c1-42-14-15-43-17-26-28(22-4-2-6-25(33)27(22)34)40-13-3-5-21(29(40)39-26)18-7-12-24(31(35,36)37)23(16-18)30(41)38-20-10-8-19(32)9-11-20;1-16-7-10-18(11-8-16)35-27(37)21-14-17(9-12-22(21)28(31,32)33)19-5-3-13-36-24(15-34-26(19)36)20-4-2-6-23(29)25(20)30;1-17-8-11-20(12-9-17)34-27(36)22-15-19(10-13-23(22)28(29,30)31)21-6-4-14-35-25(16-32-26(21)35)24-7-3-5-18(2)33-24;1-17-5-10-21(11-6-17)34-27(36)23-14-19(9-12-24(23)28(29,30)31)22-4-3-13-35-25(16-33-26(22)35)20-8-7-18(2)32-15-20;/h2-13,16H,14-15,17H2,1H3,(H,38,41);2-15H,1H3,(H,35,37);2*3-16H,1-2H3,(H,34,36);1H4
InChIKeyBWQHPUREKBHZJC-UHFFFAOYSA-N
XLogP29.58
TPSA229.84 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002096.03
LogP ≤ 529.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide (CID 163471150) is 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide is C.COCCOCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1-c1cccc(F)c1F.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccc(C)nc5)cnc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(C)n5)cnc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ccc2C(F)(F)F)cc1.
What is the InChIKey of 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is BWQHPUREKBHZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F6N3O3.C28H18F5N3O.2C28H21F3N4O.CH4/c1-42-14-15-43-17-26-28(22-4-2-6-25(33)27(22)34)40-13-3-5-21(29(40)39-26)18-7-12-24(31(35,36)37)23(16-18)30(41)38-20-10-8-19(32)9-11-20;1-16-7-10-18(11-8-16)35-27(37)21-14-17(9-12-22(21)28(31,32)33)19-5-3-13-36-24(15-34-26(19)36)20-4-2-6-23(29)25(20)30;1-17-8-11-20(12-9-17)34-27(36)22-15-19(10-13-23(22)28(29,30)31)21-6-4-14-35-25(16-32-26(21)35)24-7-3-5-18(2)33-24;1-17-5-10-21(11-6-17)34-27(36)23-14-19(9-12-24(23)28(29,30)31)22-4-3-13-35-25(16-33-26(22)35)20-8-7-18(2)32-15-20;/h2-13,16H,14-15,17H2,1H3,(H,38,41);2-15H,1H3,(H,35,37);2*3-16H,1-2H3,(H,34,36);1H4.
What are the key properties of 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 2096.03 g/mol, XLogP of 29.58, 21 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 163471150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).