5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide

C62H48BBrF12N6O8 — CID 157260203

IUPAC5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
SMILESCOCCOCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1-c1cccc(F)c1F.COCCOCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1Br.OB(O)c1cccc(F)c1F
InChIInChI=1S/C31H23F6N3O3.C25H20BrF4N3O3.C6H5BF2O2/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;1-35-11-12-36-14-21-22(26)33-10-2-3-18(23(33)32-21)15-4-9-20(25(28,29)30)19(13-15)24(34)31-17-7-5-16(27)6-8-17;8-5-3-1-2-4(6(5)9)7(10)11/h2-13,16H,14-15,17H2,1H3,(H,38,41);2-10,13H,11-12,14H2,1H3,(H,31,34);1-3,10-11H
InChIKeyAXJCTDNERSFKHU-UHFFFAOYSA-N
MW1323.79 g/mol
LogP13.50
Rot. Bonds18

About 5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide

5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide (PubChem CID 157260203) has the molecular formula C62H48BBrF12N6O8 and a molecular weight of 1323.79 g/mol. Its IUPAC name is 5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
PubChem CID157260203
Molecular FormulaC62H48BBrF12N6O8
Molecular Weight1323.79 g/mol
Exact Mass1322.26
IUPAC Name5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
SMILESCOCCOCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1-c1cccc(F)c1F.COCCOCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1Br.OB(O)c1cccc(F)c1F
InChIInChI=1S/C31H23F6N3O3.C25H20BrF4N3O3.C6H5BF2O2/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;1-35-11-12-36-14-21-22(26)33-10-2-3-18(23(33)32-21)15-4-9-20(25(28,29)30)19(13-15)24(34)31-17-7-5-16(27)6-8-17;8-5-3-1-2-4(6(5)9)7(10)11/h2-13,16H,14-15,17H2,1H3,(H,38,41);2-10,13H,11-12,14H2,1H3,(H,31,34);1-3,10-11H
InChIKeyAXJCTDNERSFKHU-UHFFFAOYSA-N
XLogP13.50
TPSA170.18 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001323.79
LogP ≤ 513.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide with MolForge

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Related Compounds

US11186579, Example 1
CID 146341478
(5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide
CID 87302426
N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 146341537
5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146840453
Methyl 4-[6-bromo-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzoate;methyl 4-[6-(3-hydroxyprop-1-ynyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzoate
CID 157788305
Methyl 4-[6-bromo-8-[(2-methylpropan-2-yl)oxycarbonyl-(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoate;methyl 4-[6-bromo-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoate
CID 157792846
4-[6-bromo-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide;methyl 4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoate
CID 157840136
5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(2-methyl-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 158427544
bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide
CID 158473457
Methyl 2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoate;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid
CID 158614650
4-[3-(4-Carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;methyl 4-[3-(4-methoxycarbonyl-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoate
CID 158654488
5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 158721288

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide (CID 157260203) is 5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide is COCCOCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1-c1cccc(F)c1F.COCCOCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1Br.OB(O)c1cccc(F)c1F.
What is the InChIKey of 5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is AXJCTDNERSFKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F6N3O3.C25H20BrF4N3O3.C6H5BF2O2/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;1-35-11-12-36-14-21-22(26)33-10-2-3-18(23(33)32-21)15-4-9-20(25(28,29)30)19(13-15)24(34)31-17-7-5-16(27)6-8-17;8-5-3-1-2-4(6(5)9)7(10)11/h2-13,16H,14-15,17H2,1H3,(H,38,41);2-10,13H,11-12,14H2,1H3,(H,31,34);1-3,10-11H.
What are the key properties of 5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide?
5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 1323.79 g/mol, XLogP of 13.50, 18 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 157260203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).