2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-diazepan-5-one;2-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl-methylamino]-N,N-dimethylacetamide

C129H119Cl5F4N22O6 — CID 157214402

About 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-diazepan-5-one;2-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl-methylamino]-N,N-dimethylacetamide

2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-diazepan-5-one;2-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl-methylamino]-N,N-dimethylacetamide (PubChem CID 157214402) has the molecular formula C129H119Cl5F4N22O6 and a molecular weight of 2326.78 g/mol. Its IUPAC name is 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-diazepan-5-one;2-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-diazepan-5-one;2-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl-methylamino]-N,N-dimethylacetamide
• PubChem CID: 157214402
• Molecular Formula: C129H119Cl5F4N22O6
• Molecular Weight: 2326.78 g/mol
• Exact Mass: 2322.81
• IUPAC Name: 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-diazepan-5-one;2-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl-methylamino]-N,N-dimethylacetamide
• SMILES: CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4c(F)cccc4F)cn23)CC1.CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(-c4ccccc4C#N)cn23)CC1.CN(CC(=O)N(C)C)Cc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12.COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4c(F)cccc4F)cn23)CC1.O=C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CCN1
• InChI: InChI=1S/C27H25ClF2N4O2.C26H23ClF2N4O.C26H23ClN6O.C25H23ClN4O.C25H25ClN4O/c1-36-17-25(35)33-13-11-32(12-14-33)16-23-27(18-5-8-20(28)9-6-18)31-24-10-7-19(15-34(23)24)26-21(29)3-2-4-22(26)30;1-17(34)32-13-11-31(12-14-32)16-23-26(18-5-8-20(27)9-6-18)30-24-10-7-19(15-33(23)24)25-21(28)3-2-4-22(25)29;1-18(34)32-12-10-31(11-13-32)17-24-26(19-6-8-21(27)9-7-19)30-25-15-29-23(16-33(24)25)22-5-3-2-4-20(22)14-28;26-21-9-6-19(7-10-21)25-22(17-29-14-12-24(31)27-13-15-29)30-16-20(8-11-23(30)28-25)18-4-2-1-3-5-18;1-28(2)24(31)17-29(3)16-22-25(19-9-12-21(26)13-10-19)27-23-14-11-20(15-30(22)23)18-7-5-4-6-8-18/h2-10,15H,11-14,16-17H2,1H3;2-10,15H,11-14,16H2,1H3;2-9,15-16H,10-13,17H2,1H3;1-11,16H,12-15,17H2,(H,27,31);4-15H,16-17H2,1-3H3
• InChIKey: ASGFIIJPCPIIIN-UHFFFAOYSA-N
• XLogP: 23.89
• TPSA: 258.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2326.78
LogP ≤ 5	23.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-diazepan-5-one;2-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl-methylamino]-N,N-dimethylacetamide?

The IUPAC name of 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-diazepan-5-one;2-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl-methylamino]-N,N-dimethylacetamide (CID 157214402) is 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-diazepan-5-one;2-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl-methylamino]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-diazepan-5-one;2-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl-methylamino]-N,N-dimethylacetamide?

The canonical SMILES for 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-diazepan-5-one;2-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl-methylamino]-N,N-dimethylacetamide is CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4c(F)cccc4F)cn23)CC1.CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(-c4ccccc4C#N)cn23)CC1.CN(CC(=O)N(C)C)Cc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12.COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4c(F)cccc4F)cn23)CC1.O=C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CCN1.

What is the InChIKey of 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-diazepan-5-one;2-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl-methylamino]-N,N-dimethylacetamide?

The InChIKey is ASGFIIJPCPIIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF2N4O2.C26H23ClF2N4O.C26H23ClN6O.C25H23ClN4O.C25H25ClN4O/c1-36-17-25(35)33-13-11-32(12-14-33)16-23-27(18-5-8-20(28)9-6-18)31-24-10-7-19(15-34(23)24)26-21(29)3-2-4-22(26)30;1-17(34)32-13-11-31(12-14-32)16-23-26(18-5-8-20(27)9-6-18)30-24-10-7-19(15-33(23)24)25-21(28)3-2-4-22(25)29;1-18(34)32-12-10-31(11-13-32)17-24-26(19-6-8-21(27)9-7-19)30-25-15-29-23(16-33(24)25)22-5-3-2-4-20(22)14-28;26-21-9-6-19(7-10-21)25-22(17-29-14-12-24(31)27-13-15-29)30-16-20(8-11-23(30)28-25)18-4-2-1-3-5-18;1-28(2)24(31)17-29(3)16-22-25(19-9-12-21(26)13-10-19)27-23-14-11-20(15-30(22)23)18-7-5-4-6-8-18/h2-10,15H,11-14,16-17H2,1H3;2-10,15H,11-14,16H2,1H3;2-9,15-16H,10-13,17H2,1H3;1-11,16H,12-15,17H2,(H,27,31);4-15H,16-17H2,1-3H3.

What are the key properties of 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-diazepan-5-one;2-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl-methylamino]-N,N-dimethylacetamide?

2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-diazepan-5-one;2-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 2326.78 g/mol, XLogP of 23.89, 24 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-diazepan-5-one;2-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 157214402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).