N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetamide;5-chloro-2-[[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)acetate;bis(ethyl 2-(8-bromo-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl)acetate);ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate

C105H100BBr3Cl6N18O15S5 — CID 159994631

About N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetamide;5-chloro-2-[[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)acetate;bis(ethyl 2-(8-bromo-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl)acetate);ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate

N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetamide;5-chloro-2-[[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)acetate;bis(ethyl 2-(8-bromo-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl)acetate);ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate (PubChem CID 159994631) has the molecular formula C105H100BBr3Cl6N18O15S5 and a molecular weight of 2477.64 g/mol. Its IUPAC name is N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetamide;5-chloro-2-[[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)acetate;bis(ethyl 2-(8-bromo-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl)acetate);ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate.

Molecular Properties

• Compound Name: N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetamide;5-chloro-2-[[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)acetate;bis(ethyl 2-(8-bromo-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl)acetate);ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate
• PubChem CID: 159994631
• Molecular Formula: C105H100BBr3Cl6N18O15S5
• Molecular Weight: 2477.64 g/mol
• Exact Mass: 2470.20
• IUPAC Name: N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetamide;5-chloro-2-[[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)acetate;bis(ethyl 2-(8-bromo-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl)acetate);ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate
• SMILES: CCOC(=O)Cc1cn2cccc(Br)c2n1.CCOC(=O)Cc1nc2c(-c3ccc(OC)cc3Cl)cccn2c1SC.CCOC(=O)Cc1nc2c(Br)cccn2c1SC.CCOC(=O)Cc1nc2c(Br)cccn2c1SC.COc1ccc(-c2cccn3c(SC)c(CC(=O)Nc4ccc(Cl)nc4N)nc23)c(Cl)c1.COc1ccc(-c2cccn3c(SC)c(Cc4nc5nc(Cl)ccc5[nH]4)nc23)c(Cl)c1.COc1ccc(B(O)O)c(Cl)c1
• InChI: InChI=1S/C22H19Cl2N5O2S.C22H17Cl2N5OS.C19H19ClN2O3S.2C12H13BrN2O2S.C11H11BrN2O2.C7H8BClO3/c1-31-12-5-6-13(15(23)10-12)14-4-3-9-29-21(14)27-17(22(29)32-2)11-19(30)26-16-7-8-18(24)28-20(16)25;1-30-12-5-6-13(15(23)10-12)14-4-3-9-29-21(14)26-17(22(29)31-2)11-19-25-16-7-8-18(24)27-20(16)28-19;1-4-25-17(23)11-16-19(26-3)22-9-5-6-14(18(22)21-16)13-8-7-12(24-2)10-15(13)20;2*1-3-17-10(16)7-9-12(18-2)15-6-4-5-8(13)11(15)14-9;1-2-16-10(15)6-8-7-14-5-3-4-9(12)11(14)13-8;1-12-5-2-3-6(8(10)11)7(9)4-5/h3-10H,11H2,1-2H3,(H2,25,28)(H,26,30);3-10H,11H2,1-2H3,(H,25,27,28);5-10H,4,11H2,1-3H3;2*4-6H,3,7H2,1-2H3;3-5,7H,2,6H2,1H3;2-4,10-11H,1H3
• InChIKey: OHJPISOPLSNAQL-UHFFFAOYSA-N
• XLogP: 23.67
• TPSA: 395.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2477.64
LogP ≤ 5	23.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetamide;5-chloro-2-[[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)acetate;bis(ethyl 2-(8-bromo-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl)acetate);ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate?

The IUPAC name of N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetamide;5-chloro-2-[[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)acetate;bis(ethyl 2-(8-bromo-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl)acetate);ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate (CID 159994631) is N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetamide;5-chloro-2-[[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)acetate;bis(ethyl 2-(8-bromo-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl)acetate);ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate.

What is the SMILES notation for N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetamide;5-chloro-2-[[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)acetate;bis(ethyl 2-(8-bromo-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl)acetate);ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate?

The canonical SMILES for N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetamide;5-chloro-2-[[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)acetate;bis(ethyl 2-(8-bromo-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl)acetate);ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate is CCOC(=O)Cc1cn2cccc(Br)c2n1.CCOC(=O)Cc1nc2c(-c3ccc(OC)cc3Cl)cccn2c1SC.CCOC(=O)Cc1nc2c(Br)cccn2c1SC.CCOC(=O)Cc1nc2c(Br)cccn2c1SC.COc1ccc(-c2cccn3c(SC)c(CC(=O)Nc4ccc(Cl)nc4N)nc23)c(Cl)c1.COc1ccc(-c2cccn3c(SC)c(Cc4nc5nc(Cl)ccc5[nH]4)nc23)c(Cl)c1.COc1ccc(B(O)O)c(Cl)c1.

What is the InChIKey of N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetamide;5-chloro-2-[[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)acetate;bis(ethyl 2-(8-bromo-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl)acetate);ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate?

The InChIKey is OHJPISOPLSNAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O2S.C22H17Cl2N5OS.C19H19ClN2O3S.2C12H13BrN2O2S.C11H11BrN2O2.C7H8BClO3/c1-31-12-5-6-13(15(23)10-12)14-4-3-9-29-21(14)27-17(22(29)32-2)11-19(30)26-16-7-8-18(24)28-20(16)25;1-30-12-5-6-13(15(23)10-12)14-4-3-9-29-21(14)26-17(22(29)31-2)11-19-25-16-7-8-18(24)27-20(16)28-19;1-4-25-17(23)11-16-19(26-3)22-9-5-6-14(18(22)21-16)13-8-7-12(24-2)10-15(13)20;2*1-3-17-10(16)7-9-12(18-2)15-6-4-5-8(13)11(15)14-9;1-2-16-10(15)6-8-7-14-5-3-4-9(12)11(14)13-8;1-12-5-2-3-6(8(10)11)7(9)4-5/h3-10H,11H2,1-2H3,(H2,25,28)(H,26,30);3-10H,11H2,1-2H3,(H,25,27,28);5-10H,4,11H2,1-3H3;2*4-6H,3,7H2,1-2H3;3-5,7H,2,6H2,1H3;2-4,10-11H,1H3.

What are the key properties of N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetamide;5-chloro-2-[[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)acetate;bis(ethyl 2-(8-bromo-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl)acetate);ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate?

N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetamide;5-chloro-2-[[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)acetate;bis(ethyl 2-(8-bromo-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl)acetate);ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate has a molecular weight of 2477.64 g/mol, XLogP of 23.67, 30 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetamide;5-chloro-2-[[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)acetate;bis(ethyl 2-(8-bromo-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl)acetate);ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate is sourced from PubChem (CID 159994631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).