tert-butyl 4-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one;N-[2-(4-chlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine

C89H88Cl4N18O8S2 — CID 159238328

About tert-butyl 4-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one;N-[2-(4-chlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine

tert-butyl 4-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one;N-[2-(4-chlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine (PubChem CID 159238328) has the molecular formula C89H88Cl4N18O8S2 and a molecular weight of 1743.75 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one;N-[2-(4-chlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine.

Molecular Properties

• Compound Name: tert-butyl 4-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one;N-[2-(4-chlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
• PubChem CID: 159238328
• Molecular Formula: C89H88Cl4N18O8S2
• Molecular Weight: 1743.75 g/mol
• Exact Mass: 1740.52
• IUPAC Name: tert-butyl 4-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one;N-[2-(4-chlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
• SMILES: CC(C)(C)OC(=O)N1CCN(C(=O)c2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCNC(=O)C3)n2c1.Clc1ccc(-c2nc3ccc(-c4nccs4)cn3c2CN2CCOCC2)cc1.O=C1CN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CCN1
• InChI: InChI=1S/C29H29ClN4O3.C21H19ClN4OS.C20H20ClN5O.C19H20ClN5O3S/c1-29(2,3)37-28(36)33-17-15-32(16-18-33)27(35)26-25(21-9-12-23(30)13-10-21)31-24-14-11-22(19-34(24)26)20-7-5-4-6-8-20;22-17-4-1-15(2-5-17)20-18(14-25-8-10-27-11-9-25)26-13-16(3-6-19(26)24-20)21-23-7-12-28-21;21-15-5-3-14(4-6-15)20-17(11-25-8-7-22-19(27)12-25)26-10-16(13-1-2-13)23-9-18(26)24-20;1-29(27,28)23-15-6-7-17-22-19(13-2-4-14(20)5-3-13)16(25(17)10-15)11-24-9-8-21-18(26)12-24/h4-14,19H,15-18H2,1-3H3;1-7,12-13H,8-11,14H2;3-6,9-10,13H,1-2,7-8,11-12H2,(H,22,27);2-7,10,23H,8-9,11-12H2,1H3,(H,21,26)
• InChIKey: KTTNAXULPHGUPB-UHFFFAOYSA-N
• XLogP: 15.44
• TPSA: 268.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1743.75
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one;N-[2-(4-chlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?

The IUPAC name of tert-butyl 4-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one;N-[2-(4-chlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine (CID 159238328) is tert-butyl 4-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one;N-[2-(4-chlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine.

What is the SMILES notation for tert-butyl 4-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one;N-[2-(4-chlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?

The canonical SMILES for tert-butyl 4-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one;N-[2-(4-chlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine is CC(C)(C)OC(=O)N1CCN(C(=O)c2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCNC(=O)C3)n2c1.Clc1ccc(-c2nc3ccc(-c4nccs4)cn3c2CN2CCOCC2)cc1.O=C1CN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CCN1.

What is the InChIKey of tert-butyl 4-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one;N-[2-(4-chlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?

The InChIKey is KTTNAXULPHGUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O3.C21H19ClN4OS.C20H20ClN5O.C19H20ClN5O3S/c1-29(2,3)37-28(36)33-17-15-32(16-18-33)27(35)26-25(21-9-12-23(30)13-10-21)31-24-14-11-22(19-34(24)26)20-7-5-4-6-8-20;22-17-4-1-15(2-5-17)20-18(14-25-8-10-27-11-9-25)26-13-16(3-6-19(26)24-20)21-23-7-12-28-21;21-15-5-3-14(4-6-15)20-17(11-25-8-7-22-19(27)12-25)26-10-16(13-1-2-13)23-9-18(26)24-20;1-29(27,28)23-15-6-7-17-22-19(13-2-4-14(20)5-3-13)16(25(17)10-15)11-24-9-8-21-18(26)12-24/h4-14,19H,15-18H2,1-3H3;1-7,12-13H,8-11,14H2;3-6,9-10,13H,1-2,7-8,11-12H2,(H,22,27);2-7,10,23H,8-9,11-12H2,1H3,(H,21,26).

What are the key properties of tert-butyl 4-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one;N-[2-(4-chlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?

tert-butyl 4-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one;N-[2-(4-chlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine has a molecular weight of 1743.75 g/mol, XLogP of 15.44, 16 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one;N-[2-(4-chlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine is sourced from PubChem (CID 159238328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).