N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;benzene-1,2-diamine;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]-N-(oxan-2-yloxy)benzamide

C139H115F15N36O12 — CID 158779810

About N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;benzene-1,2-diamine;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]-N-(oxan-2-yloxy)benzamide

N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;benzene-1,2-diamine;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]-N-(oxan-2-yloxy)benzamide (PubChem CID 158779810) has the molecular formula C139H115F15N36O12 and a molecular weight of 2766.66 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;benzene-1,2-diamine;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]-N-(oxan-2-yloxy)benzamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;benzene-1,2-diamine;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]-N-(oxan-2-yloxy)benzamide
• PubChem CID: 158779810
• Molecular Formula: C139H115F15N36O12
• Molecular Weight: 2766.66 g/mol
• Exact Mass: 2764.93
• IUPAC Name: N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;benzene-1,2-diamine;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]-N-(oxan-2-yloxy)benzamide
• SMILES: CCOC(=O)c1ccc(N(CC(F)(F)F)c2nccc(-c3cnc4ccccn34)n2)cc1.CCOC(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1.Nc1ccccc1N.Nc1ccccc1NC(=O)c1ccc(N(CC(F)(F)F)c2nccc(-c3cnc4ccccn34)n2)cc1.O=C(NO)c1ccc(N(CC(F)(F)F)c2nccc(-c3cnc4ccccn34)n2)cc1.O=C(NOC1CCCCO1)c1ccc(N(CC(F)(F)F)c2nccc(-c3cnc4ccccn34)n2)cc1.O=C(O)c1ccc(N(CC(F)(F)F)c2nccc(-c3cnc4ccccn34)n2)cc1
• InChI: InChI=1S/C26H20F3N7O.C25H23F3N6O3.C22H18F3N5O2.C20H15F3N6O2.C20H14F3N5O2.C20H17N5O2.C6H8N2/c27-26(28,29)16-36(18-10-8-17(9-11-18)24(37)33-20-6-2-1-5-19(20)30)25-31-13-12-21(34-25)22-15-32-23-7-3-4-14-35(22)23;26-25(27,28)16-34(18-9-7-17(8-10-18)23(35)32-37-22-6-2-4-14-36-22)24-29-12-11-19(31-24)20-15-30-21-5-1-3-13-33(20)21;1-2-32-20(31)15-6-8-16(9-7-15)30(14-22(23,24)25)21-26-11-10-17(28-21)18-13-27-19-5-3-4-12-29(18)19;21-20(22,23)12-29(14-6-4-13(5-7-14)18(30)27-31)19-24-9-8-15(26-19)16-11-25-17-3-1-2-10-28(16)17;21-20(22,23)12-28(14-6-4-13(5-7-14)18(29)30)19-24-9-8-15(26-19)16-11-25-17-3-1-2-10-27(16)17;1-2-27-19(26)14-6-8-15(9-7-14)23-20-21-11-10-16(24-20)17-13-22-18-5-3-4-12-25(17)18;7-5-3-1-2-4-6(5)8/h1-15H,16,30H2,(H,33,37);1,3,5,7-13,15,22H,2,4,6,14,16H2,(H,32,35);3-13H,2,14H2,1H3;1-11,31H,12H2,(H,27,30);1-11H,12H2,(H,29,30);3-13H,2H2,1H3,(H,21,23,24);1-4H,7-8H2
• InChIKey: IQXURLZAAXXDPB-UHFFFAOYSA-N
• XLogP: 27.04
• TPSA: 580.66 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 44
• Rotatable Bonds: 34
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2766.66
LogP ≤ 5	27.04
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;benzene-1,2-diamine;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]-N-(oxan-2-yloxy)benzamide?

The IUPAC name of N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;benzene-1,2-diamine;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]-N-(oxan-2-yloxy)benzamide (CID 158779810) is N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;benzene-1,2-diamine;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]-N-(oxan-2-yloxy)benzamide.

What is the SMILES notation for N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;benzene-1,2-diamine;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]-N-(oxan-2-yloxy)benzamide?

The canonical SMILES for N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;benzene-1,2-diamine;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]-N-(oxan-2-yloxy)benzamide is CCOC(=O)c1ccc(N(CC(F)(F)F)c2nccc(-c3cnc4ccccn34)n2)cc1.CCOC(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1.Nc1ccccc1N.Nc1ccccc1NC(=O)c1ccc(N(CC(F)(F)F)c2nccc(-c3cnc4ccccn34)n2)cc1.O=C(NO)c1ccc(N(CC(F)(F)F)c2nccc(-c3cnc4ccccn34)n2)cc1.O=C(NOC1CCCCO1)c1ccc(N(CC(F)(F)F)c2nccc(-c3cnc4ccccn34)n2)cc1.O=C(O)c1ccc(N(CC(F)(F)F)c2nccc(-c3cnc4ccccn34)n2)cc1.

What is the InChIKey of N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;benzene-1,2-diamine;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]-N-(oxan-2-yloxy)benzamide?

The InChIKey is IQXURLZAAXXDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N7O.C25H23F3N6O3.C22H18F3N5O2.C20H15F3N6O2.C20H14F3N5O2.C20H17N5O2.C6H8N2/c27-26(28,29)16-36(18-10-8-17(9-11-18)24(37)33-20-6-2-1-5-19(20)30)25-31-13-12-21(34-25)22-15-32-23-7-3-4-14-35(22)23;26-25(27,28)16-34(18-9-7-17(8-10-18)23(35)32-37-22-6-2-4-14-36-22)24-29-12-11-19(31-24)20-15-30-21-5-1-3-13-33(20)21;1-2-32-20(31)15-6-8-16(9-7-15)30(14-22(23,24)25)21-26-11-10-17(28-21)18-13-27-19-5-3-4-12-29(18)19;21-20(22,23)12-29(14-6-4-13(5-7-14)18(30)27-31)19-24-9-8-15(26-19)16-11-25-17-3-1-2-10-28(16)17;21-20(22,23)12-28(14-6-4-13(5-7-14)18(29)30)19-24-9-8-15(26-19)16-11-25-17-3-1-2-10-27(16)17;1-2-27-19(26)14-6-8-15(9-7-14)23-20-21-11-10-16(24-20)17-13-22-18-5-3-4-12-25(17)18;7-5-3-1-2-4-6(5)8/h1-15H,16,30H2,(H,33,37);1,3,5,7-13,15,22H,2,4,6,14,16H2,(H,32,35);3-13H,2,14H2,1H3;1-11,31H,12H2,(H,27,30);1-11H,12H2,(H,29,30);3-13H,2H2,1H3,(H,21,23,24);1-4H,7-8H2.

What are the key properties of N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;benzene-1,2-diamine;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]-N-(oxan-2-yloxy)benzamide?

N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;benzene-1,2-diamine;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]-N-(oxan-2-yloxy)benzamide has a molecular weight of 2766.66 g/mol, XLogP of 27.04, 34 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;benzene-1,2-diamine;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]-N-(oxan-2-yloxy)benzamide is sourced from PubChem (CID 158779810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).