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

C113H84F13N15O4 — CID 160534360

IUPAC5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-methylimidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)c(C)nc34)ccc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)c(CN)nc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccnc5C)cnc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccncc5)cnc34)ccc2C(F)(F)F)cc1
InChIInChI=1S/C29H21F5N4O.C29H23F2N3O.C28H21F3N4O.C27H19F3N4O/c1-16-7-10-18(11-8-16)36-28(39)21-14-17(9-12-22(21)29(32,33)34)19-5-3-13-38-26(24(15-35)37-27(19)38)20-4-2-6-23(30)25(20)31;1-17-9-13-21(14-10-17)33-29(35)24-16-20(12-11-18(24)2)22-7-5-15-34-27(19(3)32-28(22)34)23-6-4-8-25(30)26(23)31;1-17-7-10-20(11-8-17)34-27(36)23-15-19(9-12-24(23)28(29,30)31)22-6-4-14-35-25(16-33-26(22)35)21-5-3-13-32-18(21)2;1-17-4-7-20(8-5-17)33-26(35)22-15-19(6-9-23(22)27(28,29)30)21-3-2-14-34-24(16-32-25(21)34)18-10-12-31-13-11-18/h2-14H,15,35H2,1H3,(H,36,39);4-16H,1-3H3,(H,33,35);3-16H,1-2H3,(H,34,36);2-16H,1H3,(H,33,35)
InChIKeyQVYNQVUISIVRHS-UHFFFAOYSA-N
MW1962.99 g/mol
LogP27.70
Rot. Bonds17

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

5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-methylimidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide (PubChem CID 160534360) has the molecular formula C113H84F13N15O4 and a molecular weight of 1962.99 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-methylimidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-methylimidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
PubChem CID160534360
Molecular FormulaC113H84F13N15O4
Molecular Weight1962.99 g/mol
Exact Mass1961.66
IUPAC Name5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-methylimidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)c(C)nc34)ccc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)c(CN)nc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccnc5C)cnc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccncc5)cnc34)ccc2C(F)(F)F)cc1
InChIInChI=1S/C29H21F5N4O.C29H23F2N3O.C28H21F3N4O.C27H19F3N4O/c1-16-7-10-18(11-8-16)36-28(39)21-14-17(9-12-22(21)29(32,33)34)19-5-3-13-38-26(24(15-35)37-27(19)38)20-4-2-6-23(30)25(20)31;1-17-9-13-21(14-10-17)33-29(35)24-16-20(12-11-18(24)2)22-7-5-15-34-27(19(3)32-28(22)34)23-6-4-8-25(30)26(23)31;1-17-7-10-20(11-8-17)34-27(36)23-15-19(9-12-24(23)28(29,30)31)22-6-4-14-35-25(16-33-26(22)35)21-5-3-13-32-18(21)2;1-17-4-7-20(8-5-17)33-26(35)22-15-19(6-9-23(22)27(28,29)30)21-3-2-14-34-24(16-32-25(21)34)18-10-12-31-13-11-18/h2-14H,15,35H2,1H3,(H,36,39);4-16H,1-3H3,(H,33,35);3-16H,1-2H3,(H,34,36);2-16H,1H3,(H,33,35)
InChIKeyQVYNQVUISIVRHS-UHFFFAOYSA-N
XLogP27.70
TPSA237.40 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001962.99
LogP ≤ 527.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

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

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Related Compounds

3-[2-(Imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-{3-[4-(1-pyrrolidinylmethyl)-1H-imidazol-1-yl]-5-(trifluoromethyl)phenyl}-benzamide
CID 24826733
N-{4-[(4-(2-Fluoroethyl)piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[2-(imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylbenzamide
CID 24826816
3-[2-(Imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(1-piperazinylmethyl)-3-(trifluoromethyl)phenyl]benzamide
CID 24826975
3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methyl-N-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 24827072
N-(2,6-difluorophenyl)-3-[3-[2-[4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 44571813
2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 71666958
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-(1,1-difluoroethyl)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76901605
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77105832
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methyl-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283314
N-(2,6-difluorophenyl)-3-(3-(2-(3-(3-(dimethylamino)propoxy)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571763
N-(2,6-difluorophenyl)-3-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide;hydrochloride
CID 56673668
N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 145977611

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-methylimidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-methylimidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide (CID 160534360) is 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-methylimidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-methylimidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-methylimidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)c(C)nc34)ccc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)c(CN)nc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccnc5C)cnc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccncc5)cnc34)ccc2C(F)(F)F)cc1.
What is the InChIKey of 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-methylimidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is QVYNQVUISIVRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F5N4O.C29H23F2N3O.C28H21F3N4O.C27H19F3N4O/c1-16-7-10-18(11-8-16)36-28(39)21-14-17(9-12-22(21)29(32,33)34)19-5-3-13-38-26(24(15-35)37-27(19)38)20-4-2-6-23(30)25(20)31;1-17-9-13-21(14-10-17)33-29(35)24-16-20(12-11-18(24)2)22-7-5-15-34-27(19(3)32-28(22)34)23-6-4-8-25(30)26(23)31;1-17-7-10-20(11-8-17)34-27(36)23-15-19(9-12-24(23)28(29,30)31)22-6-4-14-35-25(16-33-26(22)35)21-5-3-13-32-18(21)2;1-17-4-7-20(8-5-17)33-26(35)22-15-19(6-9-23(22)27(28,29)30)21-3-2-14-34-24(16-32-25(21)34)18-10-12-31-13-11-18/h2-14H,15,35H2,1H3,(H,36,39);4-16H,1-3H3,(H,33,35);3-16H,1-2H3,(H,34,36);2-16H,1H3,(H,33,35).
What are the key properties of 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-methylimidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-methylimidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 1962.99 g/mol, XLogP of 27.70, 17 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-methylimidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 160534360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).