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

C90H94Cl7N23O13S3 — CID 157057422

About 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

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 (PubChem CID 157057422) has the molecular formula C90H94Cl7N23O13S3 and a molecular weight of 2050.26 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157057422
• Molecular Formula: C90H94Cl7N23O13S3
• Molecular Weight: 2050.26 g/mol
• Exact Mass: 2045.44
• IUPAC Name: 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
• SMILES: 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)cc3)c(CN3CCn4ncnc4C3)n2c1.O=C(C1COC1)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(-c4ncon4)cn23)CC1
• InChI: InChI=1S/C24H22Cl2N6O3.C24H27Cl2N5O4S.C22H25Cl2N5O4S.C20H20ClN7O2S/c25-17-2-3-18(19(26)9-17)22-20(11-30-5-7-31(8-6-30)24(33)16-12-34-13-16)32-10-15(1-4-21(32)28-22)23-27-14-35-29-23;1-28(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;1-33-14-21(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;1-31(29,30)25-16-6-7-18-24-20(14-2-4-15(21)5-3-14)17(27(18)10-16)11-26-8-9-28-19(12-26)22-13-23-28/h1-4,9-10,14,16H,5-8,11-13H2;3-6,11-12,16H,7-10,13-15H2,1-2H3;3-6,11-12,26H,7-10,13-14H2,1-2H3;2-7,10,13,25H,8-9,11-12H2,1H3
• InChIKey: AAXQNHQWGRVVKM-UHFFFAOYSA-N
• XLogP: 12.25
• TPSA: 370.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2050.26
LogP ≤ 5	12.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is 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)cc3)c(CN3CCn4ncnc4C3)n2c1.O=C(C1COC1)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(-c4ncon4)cn23)CC1.

What is the InChIKey of 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?

The InChIKey is AAXQNHQWGRVVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N6O3.C24H27Cl2N5O4S.C22H25Cl2N5O4S.C20H20ClN7O2S/c25-17-2-3-18(19(26)9-17)22-20(11-30-5-7-31(8-6-30)24(33)16-12-34-13-16)32-10-15(1-4-21(32)28-22)23-27-14-35-29-23;1-28(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;1-33-14-21(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;1-31(29,30)25-16-6-7-18-24-20(14-2-4-15(21)5-3-14)17(27(18)10-16)11-26-8-9-28-19(12-26)22-13-23-28/h1-4,9-10,14,16H,5-8,11-13H2;3-6,11-12,16H,7-10,13-15H2,1-2H3;3-6,11-12,26H,7-10,13-14H2,1-2H3;2-7,10,13,25H,8-9,11-12H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 2050.26 g/mol, XLogP of 12.25, 23 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157057422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).