2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone

C105H98Cl4N20O6S — CID 159683676

About 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone

2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 159683676) has the molecular formula C105H98Cl4N20O6S and a molecular weight of 1909.95 g/mol. Its IUPAC name is 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

• Compound Name: 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
• PubChem CID: 159683676
• Molecular Formula: C105H98Cl4N20O6S
• Molecular Weight: 1909.95 g/mol
• Exact Mass: 1906.65
• IUPAC Name: 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
• SMILES: CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4C#N)cn23)CC1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.N#Cc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)C4CCC4)CC3)n2c1.O=C(c1ccnnc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
• InChI: InChI=1S/C30H28ClN5O.C29H25ClN6O.C27H24ClN5O.C19H21ClN4O3S/c31-25-11-8-21(9-12-25)29-27(20-34-14-16-35(17-15-34)30(37)22-5-3-6-22)36-19-24(10-13-28(36)33-29)26-7-2-1-4-23(26)18-32;30-25-9-6-22(7-10-25)28-26(36-19-24(8-11-27(36)33-28)21-4-2-1-3-5-21)20-34-14-16-35(17-15-34)29(37)23-12-13-31-32-18-23;1-19(34)32-14-12-31(13-15-32)18-25-27(20-6-9-23(28)10-7-20)30-26-11-8-22(17-33(25)26)24-5-3-2-4-21(24)16-29;1-28(25,26)22-16-6-7-18-21-19(14-2-4-15(20)5-3-14)17(24(18)12-16)13-23-8-10-27-11-9-23/h1-2,4,7-13,19,22H,3,5-6,14-17,20H2;1-13,18-19H,14-17,20H2;2-11,17H,12-15,18H2,1H3;2-7,12,22H,8-11,13H2,1H3
• InChIKey: MVNDAIPITPURAV-UHFFFAOYSA-N
• XLogP: 18.42
• TPSA: 271.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1909.95
LogP ≤ 5	18.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone?

The IUPAC name of 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone (CID 159683676) is 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone.

What is the SMILES notation for 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone?

The canonical SMILES for 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone is CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4C#N)cn23)CC1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.N#Cc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)C4CCC4)CC3)n2c1.O=C(c1ccnnc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.

What is the InChIKey of 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone?

The InChIKey is MVNDAIPITPURAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN5O.C29H25ClN6O.C27H24ClN5O.C19H21ClN4O3S/c31-25-11-8-21(9-12-25)29-27(20-34-14-16-35(17-15-34)30(37)22-5-3-6-22)36-19-24(10-13-28(36)33-29)26-7-2-1-4-23(26)18-32;30-25-9-6-22(7-10-25)28-26(36-19-24(8-11-27(36)33-28)21-4-2-1-3-5-21)20-34-14-16-35(17-15-34)29(37)23-12-13-31-32-18-23;1-19(34)32-14-12-31(13-15-32)18-25-27(20-6-9-23(28)10-7-20)30-26-11-8-22(17-33(25)26)24-5-3-2-4-21(24)16-29;1-28(25,26)22-16-6-7-18-21-19(14-2-4-15(20)5-3-14)17(24(18)12-16)13-23-8-10-27-11-9-23/h1-2,4,7-13,19,22H,3,5-6,14-17,20H2;1-13,18-19H,14-17,20H2;2-11,17H,12-15,18H2,1H3;2-7,12,22H,8-11,13H2,1H3.

What are the key properties of 2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone?

2-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 1909.95 g/mol, XLogP of 18.42, 19 rotatable bonds, 1 hydrogen bond donors, and 22 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]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 159683676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).