N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide

C113H123Cl7N22O12S5 — CID 157150454

IUPACN-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
SMILESCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(N4CCCCS4(=O)=O)cn23)CC1.CCN(c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1)S(C)(=O)=O.CCS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1.CN(c1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCNC(=O)C3)n2c1)S(C)(=O)=O.Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCSCC2)cc1
InChIInChI=1S/C24H27Cl2N5O3S.C24H22ClN3S.C23H28ClN5O3S.C22H25ClN4O3S.C20H21Cl2N5O3S/c1-17(32)29-11-9-28(10-12-29)16-22-24(20-6-4-18(25)14-21(20)26)27-23-7-5-19(15-30(22)23)31-8-2-3-13-35(31,33)34;25-21-9-6-19(7-10-21)24-22(17-27-12-14-29-15-13-27)28-16-20(8-11-23(28)26-24)18-4-2-1-3-5-18;1-4-29(33(3,31)32)20-9-10-22-25-23(18-5-7-19(24)8-6-18)21(28(22)15-20)16-26-11-13-27(14-12-26)17(2)30;1-3-31(29,30)19-8-9-21-24-22(17-4-6-18(23)7-5-17)20(27(21)14-19)15-25-10-12-26(13-11-25)16(2)28;1-25(31(2,29)30)14-4-6-18-24-20(15-5-3-13(21)9-16(15)22)17(27(18)10-14)11-26-8-7-23-19(28)12-26/h4-7,14-15H,2-3,8-13,16H2,1H3;1-11,16H,12-15,17H2;5-10,15H,4,11-14,16H2,1-3H3;4-9,14H,3,10-13,15H2,1-2H3;3-6,9-10H,7-8,11-12H2,1-2H3,(H,23,28)
InChIKeyALESCIVLKCGETC-UHFFFAOYSA-N
MW2389.87 g/mol
LogP18.63
Rot. Bonds24

About N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide

N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide (PubChem CID 157150454) has the molecular formula C113H123Cl7N22O12S5 and a molecular weight of 2389.87 g/mol. Its IUPAC name is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
PubChem CID157150454
Molecular FormulaC113H123Cl7N22O12S5
Molecular Weight2389.87 g/mol
Exact Mass2384.61
IUPAC NameN-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
SMILESCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(N4CCCCS4(=O)=O)cn23)CC1.CCN(c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1)S(C)(=O)=O.CCS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1.CN(c1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCNC(=O)C3)n2c1)S(C)(=O)=O.Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCSCC2)cc1
InChIInChI=1S/C24H27Cl2N5O3S.C24H22ClN3S.C23H28ClN5O3S.C22H25ClN4O3S.C20H21Cl2N5O3S/c1-17(32)29-11-9-28(10-12-29)16-22-24(20-6-4-18(25)14-21(20)26)27-23-7-5-19(15-30(22)23)31-8-2-3-13-35(31,33)34;25-21-9-6-19(7-10-21)24-22(17-27-12-14-29-15-13-27)28-16-20(8-11-23(28)26-24)18-4-2-1-3-5-18;1-4-29(33(3,31)32)20-9-10-22-25-23(18-5-7-19(24)8-6-18)21(28(22)15-20)16-26-11-13-27(14-12-26)17(2)30;1-3-31(29,30)19-8-9-21-24-22(17-4-6-18(23)7-5-17)20(27(21)14-19)15-25-10-12-26(13-11-25)16(2)28;1-25(31(2,29)30)14-4-6-18-24-20(15-5-3-13(21)9-16(15)22)17(27(18)10-14)11-26-8-7-23-19(28)12-26/h4-7,14-15H,2-3,8-13,16H2,1H3;1-11,16H,12-15,17H2;5-10,15H,4,11-14,16H2,1-3H3;4-9,14H,3,10-13,15H2,1-2H3;3-6,9-10H,7-8,11-12H2,1-2H3,(H,23,28)
InChIKeyALESCIVLKCGETC-UHFFFAOYSA-N
XLogP18.63
TPSA339.01 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002389.87
LogP ≤ 518.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide (CID 157150454) is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide is CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(N4CCCCS4(=O)=O)cn23)CC1.CCN(c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1)S(C)(=O)=O.CCS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1.CN(c1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCNC(=O)C3)n2c1)S(C)(=O)=O.Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCSCC2)cc1.
What is the InChIKey of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?
The InChIKey is ALESCIVLKCGETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O3S.C24H22ClN3S.C23H28ClN5O3S.C22H25ClN4O3S.C20H21Cl2N5O3S/c1-17(32)29-11-9-28(10-12-29)16-22-24(20-6-4-18(25)14-21(20)26)27-23-7-5-19(15-30(22)23)31-8-2-3-13-35(31,33)34;25-21-9-6-19(7-10-21)24-22(17-27-12-14-29-15-13-27)28-16-20(8-11-23(28)26-24)18-4-2-1-3-5-18;1-4-29(33(3,31)32)20-9-10-22-25-23(18-5-7-19(24)8-6-18)21(28(22)15-20)16-26-11-13-27(14-12-26)17(2)30;1-3-31(29,30)19-8-9-21-24-22(17-4-6-18(23)7-5-17)20(27(21)14-19)15-25-10-12-26(13-11-25)16(2)28;1-25(31(2,29)30)14-4-6-18-24-20(15-5-3-13(21)9-16(15)22)17(27(18)10-14)11-26-8-7-23-19(28)12-26/h4-7,14-15H,2-3,8-13,16H2,1H3;1-11,16H,12-15,17H2;5-10,15H,4,11-14,16H2,1-3H3;4-9,14H,3,10-13,15H2,1-2H3;3-6,9-10H,7-8,11-12H2,1-2H3,(H,23,28).
What are the key properties of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide has a molecular weight of 2389.87 g/mol, XLogP of 18.63, 24 rotatable bonds, 1 hydrogen bond donors, and 28 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-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 157150454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).