N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone

C114H116Cl5N23O11S2 — CID 158706625

About N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone

N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone (PubChem CID 158706625) has the molecular formula C114H116Cl5N23O11S2 and a molecular weight of 2225.73 g/mol. Its IUPAC name is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

• Compound Name: N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone
• PubChem CID: 158706625
• Molecular Formula: C114H116Cl5N23O11S2
• Molecular Weight: 2225.73 g/mol
• Exact Mass: 2221.71
• IUPAC Name: N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone
• SMILES: CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(N(C)S(C)(=O)=O)cn23)CC1.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.O=C(c1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12)N1CCNCC1.O=C1CN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CCN1
• InChI: InChI=1S/C29H29ClN4O3.C24H21ClN4O.C22H26ClN5O3S.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;25-20-9-6-18(7-10-20)22-23(24(30)28-14-12-26-13-15-28)29-16-19(8-11-21(29)27-22)17-4-2-1-3-5-17;1-16(29)27-12-10-26(11-13-27)15-20-22(17-4-6-18(23)7-5-17)24-21-9-8-19(14-28(20)21)25(2)32(3,30)31;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;1-11,16,26H,12-15H2;4-9,14H,10-13,15H2,1-3H3;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: IIEPRQRLEOUBOA-UHFFFAOYSA-N
• XLogP: 17.91
• TPSA: 353.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2225.73
LogP ≤ 5	17.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone (CID 158706625) is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone.

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

The canonical SMILES for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone is CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(N(C)S(C)(=O)=O)cn23)CC1.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.O=C(c1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12)N1CCNCC1.O=C1CN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CCN1.

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

The InChIKey is IIEPRQRLEOUBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O3.C24H21ClN4O.C22H26ClN5O3S.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;25-20-9-6-18(7-10-20)22-23(24(30)28-14-12-26-13-15-28)29-16-19(8-11-21(29)27-22)17-4-2-1-3-5-17;1-16(29)27-12-10-26(11-13-27)15-20-22(17-4-6-18(23)7-5-17)24-21-9-8-19(14-28(20)21)25(2)32(3,30)31;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;1-11,16,26H,12-15H2;4-9,14H,10-13,15H2,1-3H3;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 N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone?

N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone has a molecular weight of 2225.73 g/mol, XLogP of 17.91, 20 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 158706625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).