2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;methyl-[4-[[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]methyl]piperazin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine

C82H103BClN13O6Si2 — CID 159289519

About 2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;methyl-[4-[[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]methyl]piperazin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine

2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;methyl-[4-[[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]methyl]piperazin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 159289519) has the molecular formula C82H103BClN13O6Si2 and a molecular weight of 1469.25 g/mol. Its IUPAC name is 2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;methyl-[4-[[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]methyl]piperazin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;methyl-[4-[[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]methyl]piperazin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
• PubChem CID: 159289519
• Molecular Formula: C82H103BClN13O6Si2
• Molecular Weight: 1469.25 g/mol
• Exact Mass: 1467.75
• IUPAC Name: 2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;methyl-[4-[[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]methyl]piperazin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
• SMILES: C.C.CB(O)N1CCN(Cc2ccc3nc(-c4ccc(OCc5ccccc5)cc4)n(COCC[Si](C)(C)C)c3n2)CC1.C[Si](C)(C)CCOCn1c(-c2ccc(OCc3ccccc3)cc2)nc2ccc(Cl)nc21.c1ccc(COc2ccc(-c3nc4nc(CN5CCNCC5)ccc4[nH]3)cc2)cc1
• InChI: InChI=1S/C31H42BN5O3Si.C25H28ClN3O2Si.C24H25N5O.2CH4/c1-32(38)36-18-16-35(17-19-36)22-27-12-15-29-31(33-27)37(24-39-20-21-41(2,3)4)30(34-29)26-10-13-28(14-11-26)40-23-25-8-6-5-7-9-25;1-32(2,3)16-15-30-18-29-24(27-22-13-14-23(26)28-25(22)29)20-9-11-21(12-10-20)31-17-19-7-5-4-6-8-19;1-2-4-18(5-3-1)17-30-21-9-6-19(7-10-21)23-27-22-11-8-20(26-24(22)28-23)16-29-14-12-25-13-15-29;;/h5-15,38H,16-24H2,1-4H3;4-14H,15-18H2,1-3H3;1-11,25H,12-17H2,(H,26,27,28);2*1H4
• InChIKey: KZXXUSNCLBXDBS-UHFFFAOYSA-N
• XLogP: 16.74
• TPSA: 191.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1469.25
LogP ≤ 5	16.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

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 2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;methyl-[4-[[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]methyl]piperazin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;methyl-[4-[[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]methyl]piperazin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine (CID 159289519) is 2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;methyl-[4-[[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]methyl]piperazin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;methyl-[4-[[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]methyl]piperazin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;methyl-[4-[[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]methyl]piperazin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine is C.C.CB(O)N1CCN(Cc2ccc3nc(-c4ccc(OCc5ccccc5)cc4)n(COCC[Si](C)(C)C)c3n2)CC1.C[Si](C)(C)CCOCn1c(-c2ccc(OCc3ccccc3)cc2)nc2ccc(Cl)nc21.c1ccc(COc2ccc(-c3nc4nc(CN5CCNCC5)ccc4[nH]3)cc2)cc1.

What is the InChIKey of 2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;methyl-[4-[[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]methyl]piperazin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine?

The InChIKey is KZXXUSNCLBXDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42BN5O3Si.C25H28ClN3O2Si.C24H25N5O.2CH4/c1-32(38)36-18-16-35(17-19-36)22-27-12-15-29-31(33-27)37(24-39-20-21-41(2,3)4)30(34-29)26-10-13-28(14-11-26)40-23-25-8-6-5-7-9-25;1-32(2,3)16-15-30-18-29-24(27-22-13-14-23(26)28-25(22)29)20-9-11-21(12-10-20)31-17-19-7-5-4-6-8-19;1-2-4-18(5-3-1)17-30-21-9-6-19(7-10-21)23-27-22-11-8-20(26-24(22)28-23)16-29-14-12-25-13-15-29;;/h5-15,38H,16-24H2,1-4H3;4-14H,15-18H2,1-3H3;1-11,25H,12-17H2,(H,26,27,28);2*1H4.

What are the key properties of 2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;methyl-[4-[[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]methyl]piperazin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine?

2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;methyl-[4-[[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]methyl]piperazin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 1469.25 g/mol, XLogP of 16.74, 27 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;methyl-[4-[[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]methyl]piperazin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 159289519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).