2-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-[[2-(4-chlorophenyl)-6-methylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide

C90H101Cl5N16O11S3 — CID 157052451

About 2-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-[[2-(4-chlorophenyl)-6-methylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide

2-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-[[2-(4-chlorophenyl)-6-methylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide (PubChem CID 157052451) has the molecular formula C90H101Cl5N16O11S3 and a molecular weight of 1856.36 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-[[2-(4-chlorophenyl)-6-methylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: 2-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-[[2-(4-chlorophenyl)-6-methylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
• PubChem CID: 157052451
• Molecular Formula: C90H101Cl5N16O11S3
• Molecular Weight: 1856.36 g/mol
• Exact Mass: 1852.54
• IUPAC Name: 2-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-[[2-(4-chlorophenyl)-6-methylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
• SMILES: CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(S(=O)(=O)C(C)C)cn23)CC1.CN(c1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)C(C)(C)O)CC3)n2c1)S(C)(=O)=O.CS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.O=C1CCC2CN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(C5CC5)cn34)CCN12
• InChI: InChI=1S/C24H29Cl2N5O4S.C24H25ClN4O.C23H27ClN4O3S.C19H20ClN3O3S/c1-24(2,33)23(32)30-11-9-29(10-12-30)15-20-22(18-7-5-16(25)13-19(18)26)27-21-8-6-17(14-31(20)21)28(3)36(4,34)35;25-19-6-3-17(4-7-19)24-21(15-27-11-12-28-20(14-27)8-10-23(28)30)29-13-18(16-1-2-16)5-9-22(29)26-24;1-16(2)32(30,31)20-8-9-22-25-23(18-4-6-19(24)7-5-18)21(28(22)14-20)15-26-10-12-27(13-11-26)17(3)29;1-27(24,25)16-6-7-18-21-19(14-2-4-15(20)5-3-14)17(23(18)12-16)13-22-8-10-26-11-9-22/h5-8,13-14,33H,9-12,15H2,1-4H3;3-7,9,13,16,20H,1-2,8,10-12,14-15H2;4-9,14,16H,10-13,15H2,1-3H3;2-7,12H,8-11,13H2,1H3
• InChIKey: AAJFNDUXSJXHPU-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 278.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1856.36
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-[[2-(4-chlorophenyl)-6-methylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?

The IUPAC name of 2-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-[[2-(4-chlorophenyl)-6-methylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide (CID 157052451) is 2-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-[[2-(4-chlorophenyl)-6-methylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide.

What is the SMILES notation for 2-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-[[2-(4-chlorophenyl)-6-methylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?

The canonical SMILES for 2-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-[[2-(4-chlorophenyl)-6-methylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide is CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(S(=O)(=O)C(C)C)cn23)CC1.CN(c1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)C(C)(C)O)CC3)n2c1)S(C)(=O)=O.CS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.O=C1CCC2CN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(C5CC5)cn34)CCN12.

What is the InChIKey of 2-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-[[2-(4-chlorophenyl)-6-methylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?

The InChIKey is AAJFNDUXSJXHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N5O4S.C24H25ClN4O.C23H27ClN4O3S.C19H20ClN3O3S/c1-24(2,33)23(32)30-11-9-29(10-12-30)15-20-22(18-7-5-16(25)13-19(18)26)27-21-8-6-17(14-31(20)21)28(3)36(4,34)35;25-19-6-3-17(4-7-19)24-21(15-27-11-12-28-20(14-27)8-10-23(28)30)29-13-18(16-1-2-16)5-9-22(29)26-24;1-16(2)32(30,31)20-8-9-22-25-23(18-4-6-19(24)7-5-18)21(28(22)14-20)15-26-10-12-27(13-11-26)17(3)29;1-27(24,25)16-6-7-18-21-19(14-2-4-15(20)5-3-14)17(23(18)12-16)13-22-8-10-26-11-9-22/h5-8,13-14,33H,9-12,15H2,1-4H3;3-7,9,13,16,20H,1-2,8,10-12,14-15H2;4-9,14,16H,10-13,15H2,1-3H3;2-7,12H,8-11,13H2,1H3.

What are the key properties of 2-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-[[2-(4-chlorophenyl)-6-methylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?

2-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-[[2-(4-chlorophenyl)-6-methylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide has a molecular weight of 1856.36 g/mol, XLogP of 13.85, 19 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-[[2-(4-chlorophenyl)-6-methylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 157052451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).