N-[2-[4-[[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide;N-[2-[4-[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;N-[2-[4-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;dimethyl-oxo-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]imino-λ6-sulfane

C111H130BCl4N15O13S3Si2 — CID 158832197

About N-[2-[4-[[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide;N-[2-[4-[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;N-[2-[4-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;dimethyl-oxo-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]imino-λ6-sulfane

N-[2-[4-[[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide;N-[2-[4-[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;N-[2-[4-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;dimethyl-oxo-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]imino-λ6-sulfane (PubChem CID 158832197) has the molecular formula C111H130BCl4N15O13S3Si2 and a molecular weight of 2187.35 g/mol. Its IUPAC name is N-[2-[4-[[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide;N-[2-[4-[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;N-[2-[4-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;dimethyl-oxo-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]imino-λ6-sulfane.

Molecular Properties

• Compound Name: N-[2-[4-[[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide;N-[2-[4-[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;N-[2-[4-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;dimethyl-oxo-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]imino-λ6-sulfane
• PubChem CID: 158832197
• Molecular Formula: C111H130BCl4N15O13S3Si2
• Molecular Weight: 2187.35 g/mol
• Exact Mass: 2183.75
• IUPAC Name: N-[2-[4-[[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide;N-[2-[4-[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;N-[2-[4-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;dimethyl-oxo-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]imino-λ6-sulfane
• SMILES: CC(=O)NC(C)(C)c1ccc(Oc2nc3cc(Cl)c(-c4ccc(-c5ccc(N=S(C)(C)=O)cc5)cc4)nc3n2COCC[Si](C)(C)C)cc1.CC(=O)NC(C)(C)c1ccc(Oc2nc3cc(Cl)c(Cl)nc3n2COCC[Si](C)(C)C)cc1.CC(=O)NC(C)(C)c1ccc(Oc2nc3nc(-c4ccc(-c5ccc(N=S(C)(C)=O)cc5)cc4)c(Cl)cc3[nH]2)cc1.CC1(C)OB(c2ccc(-c3ccc(N=S(C)(C)=O)cc3)cc2)OC1(C)C
• InChI: InChI=1S/C37H44ClN5O4SSi.C31H30ClN5O3S.C23H30Cl2N4O3Si.C20H26BNO3S/c1-25(44)41-37(2,3)29-15-19-31(20-16-29)47-36-39-33-23-32(38)34(40-35(33)43(36)24-46-21-22-49(6,7)8)28-11-9-26(10-12-28)27-13-17-30(18-14-27)42-48(4,5)45;1-19(38)36-31(2,3)23-12-16-25(17-13-23)40-30-33-27-18-26(32)28(34-29(27)35-30)22-8-6-20(7-9-22)21-10-14-24(15-11-21)37-41(4,5)39;1-15(30)28-23(2,3)16-7-9-17(10-8-16)32-22-26-19-13-18(24)20(25)27-21(19)29(22)14-31-11-12-33(4,5)6;1-19(2)20(3,4)25-21(24-19)17-11-7-15(8-12-17)16-9-13-18(14-10-16)22-26(5,6)23/h9-20,23H,21-22,24H2,1-8H3,(H,41,44);6-18H,1-5H3,(H,36,38)(H,33,34,35);7-10,13H,11-12,14H2,1-6H3,(H,28,30);7-14H,1-6H3
• InChIKey: IXEKMZHEMBHAIE-UHFFFAOYSA-N
• XLogP: 26.95
• TPSA: 343.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2187.35
LogP ≤ 5	26.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide;N-[2-[4-[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;N-[2-[4-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;dimethyl-oxo-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]imino-λ6-sulfane?

The IUPAC name of N-[2-[4-[[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide;N-[2-[4-[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;N-[2-[4-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;dimethyl-oxo-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]imino-λ6-sulfane (CID 158832197) is N-[2-[4-[[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide;N-[2-[4-[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;N-[2-[4-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;dimethyl-oxo-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]imino-λ6-sulfane.

What is the SMILES notation for N-[2-[4-[[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide;N-[2-[4-[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;N-[2-[4-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;dimethyl-oxo-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]imino-λ6-sulfane?

The canonical SMILES for N-[2-[4-[[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide;N-[2-[4-[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;N-[2-[4-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;dimethyl-oxo-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]imino-λ6-sulfane is CC(=O)NC(C)(C)c1ccc(Oc2nc3cc(Cl)c(-c4ccc(-c5ccc(N=S(C)(C)=O)cc5)cc4)nc3n2COCC[Si](C)(C)C)cc1.CC(=O)NC(C)(C)c1ccc(Oc2nc3cc(Cl)c(Cl)nc3n2COCC[Si](C)(C)C)cc1.CC(=O)NC(C)(C)c1ccc(Oc2nc3nc(-c4ccc(-c5ccc(N=S(C)(C)=O)cc5)cc4)c(Cl)cc3[nH]2)cc1.CC1(C)OB(c2ccc(-c3ccc(N=S(C)(C)=O)cc3)cc2)OC1(C)C.

What is the InChIKey of N-[2-[4-[[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide;N-[2-[4-[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;N-[2-[4-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;dimethyl-oxo-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]imino-λ6-sulfane?

The InChIKey is IXEKMZHEMBHAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44ClN5O4SSi.C31H30ClN5O3S.C23H30Cl2N4O3Si.C20H26BNO3S/c1-25(44)41-37(2,3)29-15-19-31(20-16-29)47-36-39-33-23-32(38)34(40-35(33)43(36)24-46-21-22-49(6,7)8)28-11-9-26(10-12-28)27-13-17-30(18-14-27)42-48(4,5)45;1-19(38)36-31(2,3)23-12-16-25(17-13-23)40-30-33-27-18-26(32)28(34-29(27)35-30)22-8-6-20(7-9-22)21-10-14-24(15-11-21)37-41(4,5)39;1-15(30)28-23(2,3)16-7-9-17(10-8-16)32-22-26-19-13-18(24)20(25)27-21(19)29(22)14-31-11-12-33(4,5)6;1-19(2)20(3,4)25-21(24-19)17-11-7-15(8-12-17)16-9-13-18(14-10-16)22-26(5,6)23/h9-20,23H,21-22,24H2,1-8H3,(H,41,44);6-18H,1-5H3,(H,36,38)(H,33,34,35);7-10,13H,11-12,14H2,1-6H3,(H,28,30);7-14H,1-6H3.

What are the key properties of N-[2-[4-[[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide;N-[2-[4-[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;N-[2-[4-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;dimethyl-oxo-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]imino-λ6-sulfane?

N-[2-[4-[[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide;N-[2-[4-[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;N-[2-[4-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;dimethyl-oxo-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]imino-λ6-sulfane has a molecular weight of 2187.35 g/mol, XLogP of 26.95, 31 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide;N-[2-[4-[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;N-[2-[4-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;dimethyl-oxo-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]imino-λ6-sulfane is sourced from PubChem (CID 158832197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).