tert-butyl 3-oxo-4-[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate;2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one

C85H104ClN13O9Si2 — CID 159001331

About tert-butyl 3-oxo-4-[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate;2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one

tert-butyl 3-oxo-4-[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate;2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one (PubChem CID 159001331) has the molecular formula C85H104ClN13O9Si2 and a molecular weight of 1543.47 g/mol. Its IUPAC name is tert-butyl 3-oxo-4-[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate;2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one.

Molecular Properties

• Compound Name: tert-butyl 3-oxo-4-[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate;2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one
• PubChem CID: 159001331
• Molecular Formula: C85H104ClN13O9Si2
• Molecular Weight: 1543.47 g/mol
• Exact Mass: 1541.73
• IUPAC Name: tert-butyl 3-oxo-4-[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate;2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one
• SMILES: C.C.C.CC(C)(C)OC(=O)N1CCN(c2ccc3nc(-c4ccc(OCc5ccccc5)cc4)n(COCC[Si](C)(C)C)c3n2)C(=O)C1.C[Si](C)(C)CCOCn1c(-c2ccc(OCc3ccccc3)cc2)nc2ccc(Cl)nc21.O=C1CNCCN1c1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2n1
• InChI: InChI=1S/C34H43N5O5Si.C25H28ClN3O2Si.C23H21N5O2.3CH4/c1-34(2,3)44-33(41)37-18-19-38(30(40)22-37)29-17-16-28-32(36-29)39(24-42-20-21-45(4,5)6)31(35-28)26-12-14-27(15-13-26)43-23-25-10-8-7-9-11-25;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;29-21-14-24-12-13-28(21)20-11-10-19-23(26-20)27-22(25-19)17-6-8-18(9-7-17)30-15-16-4-2-1-3-5-16;;;/h7-17H,18-24H2,1-6H3;4-14H,15-18H2,1-3H3;1-11,24H,12-15H2,(H,25,26,27);3*1H4
• InChIKey: JRJFGERVGLVGTO-UHFFFAOYSA-N
• XLogP: 18.26
• TPSA: 231.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1543.47
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	2
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 tert-butyl 3-oxo-4-[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate;2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one?

The IUPAC name of tert-butyl 3-oxo-4-[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate;2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one (CID 159001331) is tert-butyl 3-oxo-4-[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate;2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one.

What is the SMILES notation for tert-butyl 3-oxo-4-[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate;2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one?

The canonical SMILES for tert-butyl 3-oxo-4-[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate;2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one is C.C.C.CC(C)(C)OC(=O)N1CCN(c2ccc3nc(-c4ccc(OCc5ccccc5)cc4)n(COCC[Si](C)(C)C)c3n2)C(=O)C1.C[Si](C)(C)CCOCn1c(-c2ccc(OCc3ccccc3)cc2)nc2ccc(Cl)nc21.O=C1CNCCN1c1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2n1.

What is the InChIKey of tert-butyl 3-oxo-4-[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate;2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one?

The InChIKey is JRJFGERVGLVGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O5Si.C25H28ClN3O2Si.C23H21N5O2.3CH4/c1-34(2,3)44-33(41)37-18-19-38(30(40)22-37)29-17-16-28-32(36-29)39(24-42-20-21-45(4,5)6)31(35-28)26-12-14-27(15-13-26)43-23-25-10-8-7-9-11-25;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;29-21-14-24-12-13-28(21)20-11-10-19-23(26-20)27-22(25-19)17-6-8-18(9-7-17)30-15-16-4-2-1-3-5-16;;;/h7-17H,18-24H2,1-6H3;4-14H,15-18H2,1-3H3;1-11,24H,12-15H2,(H,25,26,27);3*1H4.

What are the key properties of tert-butyl 3-oxo-4-[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate;2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one?

tert-butyl 3-oxo-4-[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate;2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one has a molecular weight of 1543.47 g/mol, XLogP of 18.26, 24 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-oxo-4-[2-(4-phenylmethoxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate;2-[[5-chloro-2-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;methane;1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one is sourced from PubChem (CID 159001331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).