N-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide

C88H92Cl8FN19O13S4 — CID 158414899

IUPACN-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
SMILESCC(C)(O)C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(NS(C)(=O)=O)cn23)CC1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCCOCC3)n2c1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)c4ccc(F)cc4)CC3)n2c1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCNC(=O)C3)n2c1
InChIInChI=1S/C26H24Cl2FN5O3S.C23H27Cl2N5O4S.C20H22Cl2N4O3S.C19H19Cl2N5O3S/c1-38(36,37)31-20-7-9-24-30-25(21-8-4-18(27)14-22(21)28)23(34(24)15-20)16-32-10-12-33(13-11-32)26(35)17-2-5-19(29)6-3-17;1-23(2,32)22(31)29-10-8-28(9-11-29)14-19-21(17-6-4-15(24)12-18(17)25)26-20-7-5-16(13-30(19)20)27-35(3,33)34;1-30(27,28)24-15-4-6-19-23-20(16-5-3-14(21)11-17(16)22)18(26(19)12-15)13-25-7-2-9-29-10-8-25;1-30(28,29)24-13-3-5-17-23-19(14-4-2-12(20)8-15(14)21)16(26(17)9-13)10-25-7-6-22-18(27)11-25/h2-9,14-15,31H,10-13,16H2,1H3;4-7,12-13,27,32H,8-11,14H2,1-3H3;3-6,11-12,24H,2,7-10,13H2,1H3;2-5,8-9,24H,6-7,10-11H2,1H3,(H,22,27)
InChIKeyGZTOPMJEEQFKSP-UHFFFAOYSA-N
MW2054.71 g/mol
LogP14.38
Rot. Bonds22

About N-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide

N-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide (PubChem CID 158414899) has the molecular formula C88H92Cl8FN19O13S4 and a molecular weight of 2054.71 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
PubChem CID158414899
Molecular FormulaC88H92Cl8FN19O13S4
Molecular Weight2054.71 g/mol
Exact Mass2049.35
IUPAC NameN-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
SMILESCC(C)(O)C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(NS(C)(=O)=O)cn23)CC1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCCOCC3)n2c1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)c4ccc(F)cc4)CC3)n2c1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCNC(=O)C3)n2c1
InChIInChI=1S/C26H24Cl2FN5O3S.C23H27Cl2N5O4S.C20H22Cl2N4O3S.C19H19Cl2N5O3S/c1-38(36,37)31-20-7-9-24-30-25(21-8-4-18(27)14-22(21)28)23(34(24)15-20)16-32-10-12-33(13-11-32)26(35)17-2-5-19(29)6-3-17;1-23(2,32)22(31)29-10-8-28(9-11-29)14-19-21(17-6-4-15(24)12-18(17)25)26-20-7-5-16(13-30(19)20)27-35(3,33)34;1-30(27,28)24-15-4-6-19-23-20(16-5-3-14(21)11-17(16)22)18(26(19)12-15)13-25-7-2-9-29-10-8-25;1-30(28,29)24-13-3-5-17-23-19(14-4-2-12(20)8-15(14)21)16(26(17)9-13)10-25-7-6-22-18(27)11-25/h2-9,14-15,31H,10-13,16H2,1H3;4-7,12-13,27,32H,8-11,14H2,1-3H3;3-6,11-12,24H,2,7-10,13H2,1H3;2-5,8-9,24H,6-7,10-11H2,1H3,(H,22,27)
InChIKeyGZTOPMJEEQFKSP-UHFFFAOYSA-N
XLogP14.38
TPSA366.02 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002054.71
LogP ≤ 514.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze N-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide with MolForge

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Related Compounds

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-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(oxepan-4-ylamino)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
CID 157338159
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-[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
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
N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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 158637522
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
4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-thiazinane 1,1-dioxide;N-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
CID 158760193
N-[2-(2,4-dichlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(pyridazine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
CID 158962572
N-[3-[(4-acetylpiperazin-1-yl)methyl]-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]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;1-[4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
CID 159097131
[4-[[2-(4-Chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 159098161
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;N-[2-(2,4-dichlorophenyl)-3-[[4-(pyridazine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
CID 159207300

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide (CID 158414899) is N-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide is CC(C)(O)C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(NS(C)(=O)=O)cn23)CC1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCCOCC3)n2c1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)c4ccc(F)cc4)CC3)n2c1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCNC(=O)C3)n2c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide?
The InChIKey is GZTOPMJEEQFKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2FN5O3S.C23H27Cl2N5O4S.C20H22Cl2N4O3S.C19H19Cl2N5O3S/c1-38(36,37)31-20-7-9-24-30-25(21-8-4-18(27)14-22(21)28)23(34(24)15-20)16-32-10-12-33(13-11-32)26(35)17-2-5-19(29)6-3-17;1-23(2,32)22(31)29-10-8-28(9-11-29)14-19-21(17-6-4-15(24)12-18(17)25)26-20-7-5-16(13-30(19)20)27-35(3,33)34;1-30(27,28)24-15-4-6-19-23-20(16-5-3-14(21)11-17(16)22)18(26(19)12-15)13-25-7-2-9-29-10-8-25;1-30(28,29)24-13-3-5-17-23-19(14-4-2-12(20)8-15(14)21)16(26(17)9-13)10-25-7-6-22-18(27)11-25/h2-9,14-15,31H,10-13,16H2,1H3;4-7,12-13,27,32H,8-11,14H2,1-3H3;3-6,11-12,24H,2,7-10,13H2,1H3;2-5,8-9,24H,6-7,10-11H2,1H3,(H,22,27).
What are the key properties of N-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide?
N-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide has a molecular weight of 2054.71 g/mol, XLogP of 14.38, 22 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-(1,4-oxazepan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide is sourced from PubChem (CID 158414899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).