tert-butyl 5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-hydroxy-2-methylbenzoate;6-chloro-3-nitropyridin-2-amine;5,6-dichloro-1H-imidazo[4,5-b]pyridine;2-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;2-[(5,6-dichloro-2-iodoimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;5,6-dichloro-3-nitropyridin-2-amine;5,6-dichloropyridine-2,3-diamine;(4-morpholin-4-ylphenyl)boronic acid;sulfamic acid

C125H155BCl14IN27O24SSi4 — CID 160901507

About tert-butyl 5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-hydroxy-2-methylbenzoate;6-chloro-3-nitropyridin-2-amine;5,6-dichloro-1H-imidazo[4,5-b]pyridine;2-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;2-[(5,6-dichloro-2-iodoimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;5,6-dichloro-3-nitropyridin-2-amine;5,6-dichloropyridine-2,3-diamine;(4-morpholin-4-ylphenyl)boronic acid;sulfamic acid

tert-butyl 5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-hydroxy-2-methylbenzoate;6-chloro-3-nitropyridin-2-amine;5,6-dichloro-1H-imidazo[4,5-b]pyridine;2-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;2-[(5,6-dichloro-2-iodoimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;5,6-dichloro-3-nitropyridin-2-amine;5,6-dichloropyridine-2,3-diamine;(4-morpholin-4-ylphenyl)boronic acid;sulfamic acid (PubChem CID 160901507) has the molecular formula C125H155BCl14IN27O24SSi4 and a molecular weight of 3198.25 g/mol. Its IUPAC name is tert-butyl 5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-hydroxy-2-methylbenzoate;6-chloro-3-nitropyridin-2-amine;5,6-dichloro-1H-imidazo[4,5-b]pyridine;2-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;2-[(5,6-dichloro-2-iodoimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;5,6-dichloro-3-nitropyridin-2-amine;5,6-dichloropyridine-2,3-diamine;(4-morpholin-4-ylphenyl)boronic acid;sulfamic acid.

Molecular Properties

• Compound Name: tert-butyl 5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-hydroxy-2-methylbenzoate;6-chloro-3-nitropyridin-2-amine;5,6-dichloro-1H-imidazo[4,5-b]pyridine;2-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;2-[(5,6-dichloro-2-iodoimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;5,6-dichloro-3-nitropyridin-2-amine;5,6-dichloropyridine-2,3-diamine;(4-morpholin-4-ylphenyl)boronic acid;sulfamic acid
• PubChem CID: 160901507
• Molecular Formula: C125H155BCl14IN27O24SSi4
• Molecular Weight: 3198.25 g/mol
• Exact Mass: 3189.53
• IUPAC Name: tert-butyl 5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-hydroxy-2-methylbenzoate;6-chloro-3-nitropyridin-2-amine;5,6-dichloro-1H-imidazo[4,5-b]pyridine;2-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;2-[(5,6-dichloro-2-iodoimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;5,6-dichloro-3-nitropyridin-2-amine;5,6-dichloropyridine-2,3-diamine;(4-morpholin-4-ylphenyl)boronic acid;sulfamic acid
• SMILES: C[Si](C)(C)CCOCn1c(I)nc2cc(Cl)c(Cl)nc21.C[Si](C)(C)CCOCn1cnc2cc(Cl)c(Cl)nc21.Cc1ccc(O)cc1C(=O)OC(C)(C)C.Cc1ccc(Oc2nc3cc(Cl)c(-c4ccc(N5CCOCC5)cc4)nc3n2COCC[Si](C)(C)C)cc1C(=O)OC(C)(C)C.Cc1ccc(Oc2nc3cc(Cl)c(Cl)nc3n2COCC[Si](C)(C)C)cc1C(=O)OC(C)(C)C.Clc1cc2[nH]cnc2nc1Cl.NS(=O)(=O)O.Nc1cc(Cl)c(Cl)nc1N.Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-].Nc1nc(Cl)ccc1[N+](=O)[O-].OB(O)c1ccc(N2CCOCC2)cc1
• InChI: InChI=1S/C34H43ClN4O5Si.C24H31Cl2N3O4Si.C12H16Cl2IN3OSi.C12H17Cl2N3OSi.C12H16O3.C10H14BNO3.C6H3Cl2N3.C5H3Cl2N3O2.C5H5Cl2N3.C5H4ClN3O2.H3NO3S/c1-23-8-13-26(20-27(23)32(40)44-34(2,3)4)43-33-36-29-21-28(35)30(37-31(29)39(33)22-42-18-19-45(5,6)7)24-9-11-25(12-10-24)38-14-16-41-17-15-38;1-15-8-9-16(12-17(15)22(30)33-24(2,3)4)32-23-27-19-13-18(25)20(26)28-21(19)29(23)14-31-10-11-34(5,6)7;1-20(2,3)5-4-19-7-18-11-9(16-12(18)15)6-8(13)10(14)17-11;1-19(2,3)5-4-18-8-17-7-15-10-6-9(13)11(14)16-12(10)17;1-8-5-6-9(13)7-10(8)11(14)15-12(2,3)4;13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12;7-3-1-4-6(10-2-9-4)11-5(3)8;6-2-1-3(10(11)12)5(8)9-4(2)7;6-2-1-3(8)5(9)10-4(2)7;6-4-2-1-3(9(10)11)5(7)8-4;1-5(2,3)4/h8-13,20-21H,14-19,22H2,1-7H3;8-9,12-13H,10-11,14H2,1-7H3;6H,4-5,7H2,1-3H3;6-7H,4-5,8H2,1-3H3;5-7,13H,1-4H3;1-4,13-14H,5-8H2;1-2H,(H,9,10,11);1H,(H2,8,9);1H,8H2,(H2,9,10);1-2H,(H2,7,8);(H3,1,2,3,4)
• InChIKey: SPOIZFJBZFFTLE-UHFFFAOYSA-N
• XLogP: 31.30
• TPSA: 693.74 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 46
• Rotatable Bonds: 33
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3198.25
LogP ≤ 5	31.30
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-hydroxy-2-methylbenzoate;6-chloro-3-nitropyridin-2-amine;5,6-dichloro-1H-imidazo[4,5-b]pyridine;2-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;2-[(5,6-dichloro-2-iodoimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;5,6-dichloro-3-nitropyridin-2-amine;5,6-dichloropyridine-2,3-diamine;(4-morpholin-4-ylphenyl)boronic acid;sulfamic acid?

The IUPAC name of tert-butyl 5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-hydroxy-2-methylbenzoate;6-chloro-3-nitropyridin-2-amine;5,6-dichloro-1H-imidazo[4,5-b]pyridine;2-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;2-[(5,6-dichloro-2-iodoimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;5,6-dichloro-3-nitropyridin-2-amine;5,6-dichloropyridine-2,3-diamine;(4-morpholin-4-ylphenyl)boronic acid;sulfamic acid (CID 160901507) is tert-butyl 5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-hydroxy-2-methylbenzoate;6-chloro-3-nitropyridin-2-amine;5,6-dichloro-1H-imidazo[4,5-b]pyridine;2-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;2-[(5,6-dichloro-2-iodoimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;5,6-dichloro-3-nitropyridin-2-amine;5,6-dichloropyridine-2,3-diamine;(4-morpholin-4-ylphenyl)boronic acid;sulfamic acid.

What is the SMILES notation for tert-butyl 5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-hydroxy-2-methylbenzoate;6-chloro-3-nitropyridin-2-amine;5,6-dichloro-1H-imidazo[4,5-b]pyridine;2-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;2-[(5,6-dichloro-2-iodoimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;5,6-dichloro-3-nitropyridin-2-amine;5,6-dichloropyridine-2,3-diamine;(4-morpholin-4-ylphenyl)boronic acid;sulfamic acid?

The canonical SMILES for tert-butyl 5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-hydroxy-2-methylbenzoate;6-chloro-3-nitropyridin-2-amine;5,6-dichloro-1H-imidazo[4,5-b]pyridine;2-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;2-[(5,6-dichloro-2-iodoimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;5,6-dichloro-3-nitropyridin-2-amine;5,6-dichloropyridine-2,3-diamine;(4-morpholin-4-ylphenyl)boronic acid;sulfamic acid is C[Si](C)(C)CCOCn1c(I)nc2cc(Cl)c(Cl)nc21.C[Si](C)(C)CCOCn1cnc2cc(Cl)c(Cl)nc21.Cc1ccc(O)cc1C(=O)OC(C)(C)C.Cc1ccc(Oc2nc3cc(Cl)c(-c4ccc(N5CCOCC5)cc4)nc3n2COCC[Si](C)(C)C)cc1C(=O)OC(C)(C)C.Cc1ccc(Oc2nc3cc(Cl)c(Cl)nc3n2COCC[Si](C)(C)C)cc1C(=O)OC(C)(C)C.Clc1cc2[nH]cnc2nc1Cl.NS(=O)(=O)O.Nc1cc(Cl)c(Cl)nc1N.Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-].Nc1nc(Cl)ccc1[N+](=O)[O-].OB(O)c1ccc(N2CCOCC2)cc1.

What is the InChIKey of tert-butyl 5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-hydroxy-2-methylbenzoate;6-chloro-3-nitropyridin-2-amine;5,6-dichloro-1H-imidazo[4,5-b]pyridine;2-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;2-[(5,6-dichloro-2-iodoimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;5,6-dichloro-3-nitropyridin-2-amine;5,6-dichloropyridine-2,3-diamine;(4-morpholin-4-ylphenyl)boronic acid;sulfamic acid?

The InChIKey is SPOIZFJBZFFTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43ClN4O5Si.C24H31Cl2N3O4Si.C12H16Cl2IN3OSi.C12H17Cl2N3OSi.C12H16O3.C10H14BNO3.C6H3Cl2N3.C5H3Cl2N3O2.C5H5Cl2N3.C5H4ClN3O2.H3NO3S/c1-23-8-13-26(20-27(23)32(40)44-34(2,3)4)43-33-36-29-21-28(35)30(37-31(29)39(33)22-42-18-19-45(5,6)7)24-9-11-25(12-10-24)38-14-16-41-17-15-38;1-15-8-9-16(12-17(15)22(30)33-24(2,3)4)32-23-27-19-13-18(25)20(26)28-21(19)29(23)14-31-10-11-34(5,6)7;1-20(2,3)5-4-19-7-18-11-9(16-12(18)15)6-8(13)10(14)17-11;1-19(2,3)5-4-18-8-17-7-15-10-6-9(13)11(14)16-12(10)17;1-8-5-6-9(13)7-10(8)11(14)15-12(2,3)4;13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12;7-3-1-4-6(10-2-9-4)11-5(3)8;6-2-1-3(10(11)12)5(8)9-4(2)7;6-2-1-3(8)5(9)10-4(2)7;6-4-2-1-3(9(10)11)5(7)8-4;1-5(2,3)4/h8-13,20-21H,14-19,22H2,1-7H3;8-9,12-13H,10-11,14H2,1-7H3;6H,4-5,7H2,1-3H3;6-7H,4-5,8H2,1-3H3;5-7,13H,1-4H3;1-4,13-14H,5-8H2;1-2H,(H,9,10,11);1H,(H2,8,9);1H,8H2,(H2,9,10);1-2H,(H2,7,8);(H3,1,2,3,4).

What are the key properties of tert-butyl 5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-hydroxy-2-methylbenzoate;6-chloro-3-nitropyridin-2-amine;5,6-dichloro-1H-imidazo[4,5-b]pyridine;2-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;2-[(5,6-dichloro-2-iodoimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;5,6-dichloro-3-nitropyridin-2-amine;5,6-dichloropyridine-2,3-diamine;(4-morpholin-4-ylphenyl)boronic acid;sulfamic acid?

tert-butyl 5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-hydroxy-2-methylbenzoate;6-chloro-3-nitropyridin-2-amine;5,6-dichloro-1H-imidazo[4,5-b]pyridine;2-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;2-[(5,6-dichloro-2-iodoimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;5,6-dichloro-3-nitropyridin-2-amine;5,6-dichloropyridine-2,3-diamine;(4-morpholin-4-ylphenyl)boronic acid;sulfamic acid has a molecular weight of 3198.25 g/mol, XLogP of 31.30, 33 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-hydroxy-2-methylbenzoate;6-chloro-3-nitropyridin-2-amine;5,6-dichloro-1H-imidazo[4,5-b]pyridine;2-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;2-[(5,6-dichloro-2-iodoimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;5,6-dichloro-3-nitropyridin-2-amine;5,6-dichloropyridine-2,3-diamine;(4-morpholin-4-ylphenyl)boronic acid;sulfamic acid is sourced from PubChem (CID 160901507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).