4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2R)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2,5-difluoro-N-methylbenzamide;4-[7-chloro-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-2-fluoro-N,5-dimethylbenzamide;methyl (2S)-2-[[2-[5-fluoro-2-methyl-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

C117H127Cl3F4N20O16 — CID 160609533

About 4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2R)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2,5-difluoro-N-methylbenzamide;4-[7-chloro-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-2-fluoro-N,5-dimethylbenzamide;methyl (2S)-2-[[2-[5-fluoro-2-methyl-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2R)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2,5-difluoro-N-methylbenzamide;4-[7-chloro-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-2-fluoro-N,5-dimethylbenzamide;methyl (2S)-2-[[2-[5-fluoro-2-methyl-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (PubChem CID 160609533) has the molecular formula C117H127Cl3F4N20O16 and a molecular weight of 2251.78 g/mol. Its IUPAC name is 4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2R)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2,5-difluoro-N-methylbenzamide;4-[7-chloro-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-2-fluoro-N,5-dimethylbenzamide;methyl (2S)-2-[[2-[5-fluoro-2-methyl-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

Molecular Properties

• Compound Name: 4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2R)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2,5-difluoro-N-methylbenzamide;4-[7-chloro-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-2-fluoro-N,5-dimethylbenzamide;methyl (2S)-2-[[2-[5-fluoro-2-methyl-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
• PubChem CID: 160609533
• Molecular Formula: C117H127Cl3F4N20O16
• Molecular Weight: 2251.78 g/mol
• Exact Mass: 2248.87
• IUPAC Name: 4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2R)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2,5-difluoro-N-methylbenzamide;4-[7-chloro-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-2-fluoro-N,5-dimethylbenzamide;methyl (2S)-2-[[2-[5-fluoro-2-methyl-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
• SMILES: CCC(=O)N1CCO[C@@H](Cc2c(-c3cc(F)c(C(=O)NC)cc3C)nc3cc(Cl)ccn23)C1.CNC(=O)c1cc(C)c(-c2nc3cc(C)ccn3c2C[C@H]2CN(C(=O)OC)CCO2)cc1F.CNC(=O)c1cc(F)c(-c2nc3cc(C)ccn3c2C[C@H]2CN(C(C)=O)CCO2)cc1F.CNC(=O)c1ccc(-c2nc3cc(Cl)ccn3c2C[C@@H]2CN(C(C)=O)CCO2)c(C)c1.CNC(=O)c1ccc(-c2nc3cc(Cl)ccn3c2C[C@H]2CN(C(C)=O)CCO2)c(C)c1
• InChI: InChI=1S/C24H26ClFN4O3.C24H27FN4O4.2C23H25ClN4O3.C23H24F2N4O3/c1-4-22(31)29-7-8-33-16(13-29)11-20-23(28-21-10-15(25)5-6-30(20)21)17-12-19(26)18(9-14(17)2)24(32)27-3;1-14-5-6-29-20(11-16-13-28(7-8-33-16)24(31)32-4)22(27-21(29)9-14)17-12-19(25)18(10-15(17)2)23(30)26-3;2*1-14-10-16(23(30)25-3)4-5-19(14)22-20(28-7-6-17(24)11-21(28)26-22)12-18-13-27(15(2)29)8-9-31-18;1-13-4-5-29-20(9-15-12-28(14(2)30)6-7-32-15)22(27-21(29)8-13)16-10-19(25)17(11-18(16)24)23(31)26-3/h5-6,9-10,12,16H,4,7-8,11,13H2,1-3H3,(H,27,32);5-6,9-10,12,16H,7-8,11,13H2,1-4H3,(H,26,30);2*4-7,10-11,18H,8-9,12-13H2,1-3H3,(H,25,30);4-5,8,10-11,15H,6-7,9,12H2,1-3H3,(H,26,31)/t2*16-;2*18-;15-/m00100/s1
• InChIKey: RFIGFJVWCTZHAQ-AAQFSVNNSA-N
• XLogP: 15.73
• TPSA: 388.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2251.78
LogP ≤ 5	15.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2R)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2,5-difluoro-N-methylbenzamide;4-[7-chloro-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-2-fluoro-N,5-dimethylbenzamide;methyl (2S)-2-[[2-[5-fluoro-2-methyl-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The IUPAC name of 4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2R)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2,5-difluoro-N-methylbenzamide;4-[7-chloro-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-2-fluoro-N,5-dimethylbenzamide;methyl (2S)-2-[[2-[5-fluoro-2-methyl-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (CID 160609533) is 4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2R)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2,5-difluoro-N-methylbenzamide;4-[7-chloro-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-2-fluoro-N,5-dimethylbenzamide;methyl (2S)-2-[[2-[5-fluoro-2-methyl-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

What is the SMILES notation for 4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2R)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2,5-difluoro-N-methylbenzamide;4-[7-chloro-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-2-fluoro-N,5-dimethylbenzamide;methyl (2S)-2-[[2-[5-fluoro-2-methyl-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The canonical SMILES for 4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2R)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2,5-difluoro-N-methylbenzamide;4-[7-chloro-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-2-fluoro-N,5-dimethylbenzamide;methyl (2S)-2-[[2-[5-fluoro-2-methyl-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is CCC(=O)N1CCO[C@@H](Cc2c(-c3cc(F)c(C(=O)NC)cc3C)nc3cc(Cl)ccn23)C1.CNC(=O)c1cc(C)c(-c2nc3cc(C)ccn3c2C[C@H]2CN(C(=O)OC)CCO2)cc1F.CNC(=O)c1cc(F)c(-c2nc3cc(C)ccn3c2C[C@H]2CN(C(C)=O)CCO2)cc1F.CNC(=O)c1ccc(-c2nc3cc(Cl)ccn3c2C[C@@H]2CN(C(C)=O)CCO2)c(C)c1.CNC(=O)c1ccc(-c2nc3cc(Cl)ccn3c2C[C@H]2CN(C(C)=O)CCO2)c(C)c1.

What is the InChIKey of 4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2R)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2,5-difluoro-N-methylbenzamide;4-[7-chloro-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-2-fluoro-N,5-dimethylbenzamide;methyl (2S)-2-[[2-[5-fluoro-2-methyl-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The InChIKey is RFIGFJVWCTZHAQ-AAQFSVNNSA-N. The full InChI is InChI=1S/C24H26ClFN4O3.C24H27FN4O4.2C23H25ClN4O3.C23H24F2N4O3/c1-4-22(31)29-7-8-33-16(13-29)11-20-23(28-21-10-15(25)5-6-30(20)21)17-12-19(26)18(9-14(17)2)24(32)27-3;1-14-5-6-29-20(11-16-13-28(7-8-33-16)24(31)32-4)22(27-21(29)9-14)17-12-19(25)18(10-15(17)2)23(30)26-3;2*1-14-10-16(23(30)25-3)4-5-19(14)22-20(28-7-6-17(24)11-21(28)26-22)12-18-13-27(15(2)29)8-9-31-18;1-13-4-5-29-20(9-15-12-28(14(2)30)6-7-32-15)22(27-21(29)8-13)16-10-19(25)17(11-18(16)24)23(31)26-3/h5-6,9-10,12,16H,4,7-8,11,13H2,1-3H3,(H,27,32);5-6,9-10,12,16H,7-8,11,13H2,1-4H3,(H,26,30);2*4-7,10-11,18H,8-9,12-13H2,1-3H3,(H,25,30);4-5,8,10-11,15H,6-7,9,12H2,1-3H3,(H,26,31)/t2*16-;2*18-;15-/m00100/s1.

What are the key properties of 4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2R)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2,5-difluoro-N-methylbenzamide;4-[7-chloro-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-2-fluoro-N,5-dimethylbenzamide;methyl (2S)-2-[[2-[5-fluoro-2-methyl-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2R)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2,5-difluoro-N-methylbenzamide;4-[7-chloro-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-2-fluoro-N,5-dimethylbenzamide;methyl (2S)-2-[[2-[5-fluoro-2-methyl-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate has a molecular weight of 2251.78 g/mol, XLogP of 15.73, 21 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2R)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2,5-difluoro-N-methylbenzamide;4-[7-chloro-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-2-fluoro-N,5-dimethylbenzamide;methyl (2S)-2-[[2-[5-fluoro-2-methyl-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 160609533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).