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

C22H25Cl2N5O4S — CID 121309882

IUPACN-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
SMILESCOCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(NS(C)(=O)=O)cn23)CC1
InChIInChI=1S/C22H25Cl2N5O4S/c1-33-14-21(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/h3-6,11-12,26H,7-10,13-14H2,1-2H3
InChIKeySLGVOHUXGCFNAX-UHFFFAOYSA-N
MW526.45 g/mol
LogP2.97
Rot. Bonds7

About 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-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide (PubChem CID 121309882) has the molecular formula C22H25Cl2N5O4S and a molecular weight of 526.45 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
PubChem CID121309882
Molecular FormulaC22H25Cl2N5O4S
Molecular Weight526.45 g/mol
Exact Mass525.10
IUPAC NameN-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
SMILESCOCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(NS(C)(=O)=O)cn23)CC1
InChIInChI=1S/C22H25Cl2N5O4S/c1-33-14-21(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/h3-6,11-12,26H,7-10,13-14H2,1-2H3
InChIKeySLGVOHUXGCFNAX-UHFFFAOYSA-N
XLogP2.97
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2,4-dichlorophenyl)-3-[[4-[(E)-4-imino-2-methanimidoylbut-2-enoyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
CID 144747993
[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane
CID 144748044
N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535322
4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 90488688
4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 121309712
N-(2,4-dichlorophenyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 78899895
6-chloro-3-(chloromethyl)-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine
CID 82029741
2-methoxy-1-[4-[[2-(3-nitrophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 83274417
3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 91635351
1-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-2-methoxyethanone
CID 121309686
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpropane-2-sulfonamide
CID 121309885
2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 83278414

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide (CID 121309882) is N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide is COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(NS(C)(=O)=O)cn23)CC1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide?
The InChIKey is SLGVOHUXGCFNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N5O4S/c1-33-14-21(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/h3-6,11-12,26H,7-10,13-14H2,1-2H3.
What are the key properties of 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-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide has a molecular weight of 526.45 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide is sourced from PubChem (CID 121309882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).