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

C112H77F16N13O5 — CID 159028582

IUPAC5-[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-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)c(CO)nc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ccc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cncc(F)c5)cnc34)ccc2C(F)(F)F)cc1
InChIInChI=1S/C29H20F5N3O2.C28H18F5N3O.C28H21F2N3O.C27H18F4N4O/c1-16-7-10-18(11-8-16)35-28(39)21-14-17(9-12-22(21)29(32,33)34)19-5-3-13-37-26(24(15-38)36-27(19)37)20-4-2-6-23(30)25(20)31;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;1-17-8-12-20(13-9-17)32-28(34)23-15-19(11-10-18(23)2)21-6-4-14-33-25(16-31-27(21)33)22-5-3-7-24(29)26(22)30;1-16-4-7-20(8-5-16)34-26(36)22-12-17(6-9-23(22)27(29,30)31)21-3-2-10-35-24(15-33-25(21)35)18-11-19(28)14-32-13-18/h2-14,38H,15H2,1H3,(H,35,39);2-15H,1H3,(H,35,37);3-16H,1-2H3,(H,32,34);2-15H,1H3,(H,34,36)
InChIKeyJUOXASSUJAJEAL-UHFFFAOYSA-N
MW1988.90 g/mol
LogP28.14
Rot. Bonds17

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

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-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 159028582) has the molecular formula C112H77F16N13O5 and a molecular weight of 1988.90 g/mol. Its IUPAC name is 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-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-[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-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
PubChem CID159028582
Molecular FormulaC112H77F16N13O5
Molecular Weight1988.90 g/mol
Exact Mass1987.59
IUPAC Name5-[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-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)c(CO)nc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ccc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cncc(F)c5)cnc34)ccc2C(F)(F)F)cc1
InChIInChI=1S/C29H20F5N3O2.C28H18F5N3O.C28H21F2N3O.C27H18F4N4O/c1-16-7-10-18(11-8-16)35-28(39)21-14-17(9-12-22(21)29(32,33)34)19-5-3-13-37-26(24(15-38)36-27(19)37)20-4-2-6-23(30)25(20)31;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;1-17-8-12-20(13-9-17)32-28(34)23-15-19(11-10-18(23)2)21-6-4-14-33-25(16-31-27(21)33)22-5-3-7-24(29)26(22)30;1-16-4-7-20(8-5-16)34-26(36)22-12-17(6-9-23(22)27(29,30)31)21-3-2-10-35-24(15-33-25(21)35)18-11-19(28)14-32-13-18/h2-14,38H,15H2,1H3,(H,35,39);2-15H,1H3,(H,35,37);3-16H,1-2H3,(H,32,34);2-15H,1H3,(H,34,36)
InChIKeyJUOXASSUJAJEAL-UHFFFAOYSA-N
XLogP28.14
TPSA218.72 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001988.90
LogP ≤ 528.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

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

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Related Compounds

2-fluoro-N-[7-[3-(hydroxymethyl)phenyl]-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 122609266
US11186579, Example 21
CID 146307453
US11186579, Example 28
CID 146307520
2-fluoro-N-[7-[2-[4-fluoro-5-[[5-(1-hydroxyethyl)-2-phenyl-1H-indol-3-yl]carbamoyl]-2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-(1-hydroxyethyl)-2-phenyl-1H-indol-3-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 123599674
N-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 130425569
N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[(3Z)-4-[5-(4-cyanophenyl)-1-methylimidazol-2-yl]buta-1,3-dien-2-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 134505018
3-[2-[8-[[6-(2-hydroxypropan-2-yl)pyridin-2-yl]amino]imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 138556300
3-[2-[8-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide
CID 138564393
N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 147370985
5-[3-(1,2-dihydropyridin-3-yl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;ethane
CID 153390322
7-[[6-[1-[[3-[7-[[5-[1-[2-(Dimethylamino)ethyl]-2-oxopiperidin-4-yl]-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-7-fluoroimidazo[1,2-a]pyridin-8-yl]methyl]-4-hydroxypiperidin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156166579
4-[7-[5-[2-(Dimethylamino)propan-2-yl]-1-[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-3-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]-7-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156651949

Frequently Asked Questions

What is the IUPAC name of 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-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 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-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (CID 159028582) is 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-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 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-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 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-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)c(CO)nc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ccc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cncc(F)c5)cnc34)ccc2C(F)(F)F)cc1.
What is the InChIKey of 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-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is JUOXASSUJAJEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F5N3O2.C28H18F5N3O.C28H21F2N3O.C27H18F4N4O/c1-16-7-10-18(11-8-16)35-28(39)21-14-17(9-12-22(21)29(32,33)34)19-5-3-13-37-26(24(15-38)36-27(19)37)20-4-2-6-23(30)25(20)31;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;1-17-8-12-20(13-9-17)32-28(34)23-15-19(11-10-18(23)2)21-6-4-14-33-25(16-31-27(21)33)22-5-3-7-24(29)26(22)30;1-16-4-7-20(8-5-16)34-26(36)22-12-17(6-9-23(22)27(29,30)31)21-3-2-10-35-24(15-33-25(21)35)18-11-19(28)14-32-13-18/h2-14,38H,15H2,1H3,(H,35,39);2-15H,1H3,(H,35,37);3-16H,1-2H3,(H,32,34);2-15H,1H3,(H,34,36).
What are the key properties of 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-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
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-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 1988.90 g/mol, XLogP of 28.14, 17 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 159028582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).