N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide

C91H102Cl8N20O15S4 — CID 158126688

IUPACN-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
SMILESCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(N(C)S(C)(=O)=O)cn23)CC1.CN(c1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)C4COC4)CC3)n2c1)S(C)(=O)=O.COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(NS(C)(=O)=O)cn23)CC1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)C4COC4)CC3)n2c1
InChIInChI=1S/C24H27Cl2N5O4S.C23H25Cl2N5O4S.C22H25Cl2N5O4S.C22H25Cl2N5O3S/c1-28(36(2,33)34)18-4-6-22-27-23(19-5-3-17(25)11-20(19)26)21(31(22)12-18)13-29-7-9-30(10-8-29)24(32)16-14-35-15-16;1-35(32,33)27-17-3-5-21-26-22(18-4-2-16(24)10-19(18)25)20(30(21)11-17)12-28-6-8-29(9-7-28)23(31)15-13-34-14-15;1-33-14-21(30)28-9-7-27(8-10-28)13-19-22(17-5-3-15(23)11-18(17)24)25-20-6-4-16(12-29(19)20)26-34(2,31)32;1-15(30)28-10-8-27(9-11-28)14-20-22(18-6-4-16(23)12-19(18)24)25-21-7-5-17(13-29(20)21)26(2)33(3,31)32/h3-6,11-12,16H,7-10,13-15H2,1-2H3;2-5,10-11,15,27H,6-9,12-14H2,1H3;3-6,11-12,26H,7-10,13-14H2,1-2H3;4-7,12-13H,8-11,14H2,1-3H3
InChIKeyFSGMAWWSEBBPOG-UHFFFAOYSA-N
MW2127.83 g/mol
LogP12.30
Rot. Bonds24

About N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide

N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide (PubChem CID 158126688) has the molecular formula C91H102Cl8N20O15S4 and a molecular weight of 2127.83 g/mol. Its IUPAC name is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
PubChem CID158126688
Molecular FormulaC91H102Cl8N20O15S4
Molecular Weight2127.83 g/mol
Exact Mass2122.42
IUPAC NameN-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
SMILESCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(N(C)S(C)(=O)=O)cn23)CC1.CN(c1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)C4COC4)CC3)n2c1)S(C)(=O)=O.COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(NS(C)(=O)=O)cn23)CC1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)C4COC4)CC3)n2c1
InChIInChI=1S/C24H27Cl2N5O4S.C23H25Cl2N5O4S.C22H25Cl2N5O4S.C22H25Cl2N5O3S/c1-28(36(2,33)34)18-4-6-22-27-23(19-5-3-17(25)11-20(19)26)21(31(22)12-18)13-29-7-9-30(10-8-29)24(32)16-14-35-15-16;1-35(32,33)27-17-3-5-21-26-22(18-4-2-16(24)10-19(18)25)20(30(21)11-17)12-28-6-8-29(9-7-28)23(31)15-13-34-14-15;1-33-14-21(30)28-9-7-27(8-10-28)13-19-22(17-5-3-15(23)11-18(17)24)25-20-6-4-16(12-29(19)20)26-34(2,31)32;1-15(30)28-10-8-27(9-11-28)14-20-22(18-6-4-16(23)12-19(18)24)25-21-7-5-17(13-29(20)21)26(2)33(3,31)32/h3-6,11-12,16H,7-10,13-15H2,1-2H3;2-5,10-11,15,27H,6-9,12-14H2,1H3;3-6,11-12,26H,7-10,13-14H2,1-2H3;4-7,12-13H,8-11,14H2,1-3H3
InChIKeyFSGMAWWSEBBPOG-UHFFFAOYSA-N
XLogP12.30
TPSA358.19 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002127.83
LogP ≤ 512.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

N-[2-(4-chlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
CID 157057422
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;7-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 157103417
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpropane-1-sulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpropane-2-sulfonamide;N-[2-(4-chlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone
CID 157262324
N-[3-(4-acetylpiperazine-1-carbonyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one;1-[4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 157291751
N-[2-(4-chlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
CID 157523973
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]ethanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxyethanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylethanesulfonamide;bis(N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-2-sulfonamide)
CID 157572116
N-[2-(4-chlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(4-chlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;7-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 157609347
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpropane-1-sulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpropane-2-sulfonamide;4-[2-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]morpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone
CID 157611648
4-[[2-(4-Chlorophenyl)-5-methyl-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;2-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]acetamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone;4-[(2-cyclohexyl-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 157735169
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpropane-2-sulfonamide;N-[2-(4-chlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone
CID 157749408
N-[2-(2,4-dichlorophenyl)-3-[(4-hydroxypiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxane-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
CID 157761962
N-[2-(2,4-dichlorophenyl)-3-[(4-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxane-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
CID 157974636

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide (CID 158126688) is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-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-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide is CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(N(C)S(C)(=O)=O)cn23)CC1.CN(c1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)C4COC4)CC3)n2c1)S(C)(=O)=O.COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(NS(C)(=O)=O)cn23)CC1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)C4COC4)CC3)n2c1.
What is the InChIKey of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?
The InChIKey is FSGMAWWSEBBPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O4S.C23H25Cl2N5O4S.C22H25Cl2N5O4S.C22H25Cl2N5O3S/c1-28(36(2,33)34)18-4-6-22-27-23(19-5-3-17(25)11-20(19)26)21(31(22)12-18)13-29-7-9-30(10-8-29)24(32)16-14-35-15-16;1-35(32,33)27-17-3-5-21-26-22(18-4-2-16(24)10-19(18)25)20(30(21)11-17)12-28-6-8-29(9-7-28)23(31)15-13-34-14-15;1-33-14-21(30)28-9-7-27(8-10-28)13-19-22(17-5-3-15(23)11-18(17)24)25-20-6-4-16(12-29(19)20)26-34(2,31)32;1-15(30)28-10-8-27(9-11-28)14-20-22(18-6-4-16(23)12-19(18)24)25-21-7-5-17(13-29(20)21)26(2)33(3,31)32/h3-6,11-12,16H,7-10,13-15H2,1-2H3;2-5,10-11,15,27H,6-9,12-14H2,1H3;3-6,11-12,26H,7-10,13-14H2,1-2H3;4-7,12-13H,8-11,14H2,1-3H3.
What are the key properties of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide has a molecular weight of 2127.83 g/mol, XLogP of 12.30, 24 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 158126688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).