tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-[methoxy(methyl)carbamoyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;methoxyethane

C83H117F2N11O15Si2 — CID 160833337

About tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-[methoxy(methyl)carbamoyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;methoxyethane

tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-[methoxy(methyl)carbamoyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;methoxyethane (PubChem CID 160833337) has the molecular formula C83H117F2N11O15Si2 and a molecular weight of 1603.08 g/mol. Its IUPAC name is tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-[methoxy(methyl)carbamoyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;methoxyethane.

Molecular Properties

• Compound Name: tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-[methoxy(methyl)carbamoyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;methoxyethane
• PubChem CID: 160833337
• Molecular Formula: C83H117F2N11O15Si2
• Molecular Weight: 1603.08 g/mol
• Exact Mass: 1601.82
• IUPAC Name: tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-[methoxy(methyl)carbamoyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;methoxyethane
• SMILES: CCOC.CCc1cc(OC)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)OC(C)(C)C)C(C(=O)N(C)OC)C4)nn(C3CCCCO3)c2c1.CCc1cc(OC)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)OC(C)(C)C)C(C(=O)O)C4)nn(C3CCCCO3)c2c1
• InChI: InChI=1S/C41H57FN6O7Si.C39H52FN5O7Si.C3H8O/c1-11-26-21-35(51-6)30(42)22-29(26)27-15-16-28-32(20-27)48(36-14-12-13-17-54-36)44-37(28)38-43-31-23-33(39(49)45(5)52-7)46(40(50)55-41(2,3)4)24-34(31)47(38)25-53-18-19-56(8,9)10;1-9-24-19-33(49-5)28(40)20-27(24)25-13-14-26-30(18-25)45(34-12-10-11-15-51-34)42-35(26)36-41-29-21-31(37(46)47)43(38(48)52-39(2,3)4)22-32(29)44(36)23-50-16-17-53(6,7)8;1-3-4-2/h15-16,20-22,33,36H,11-14,17-19,23-25H2,1-10H3;13-14,18-20,31,34H,9-12,15-17,21-23H2,1-8H3,(H,46,47);3H2,1-2H3
• InChIKey: SHCAHVSJCTYBKO-UHFFFAOYSA-N
• XLogP: 16.66
• TPSA: 261.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1603.08
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-[methoxy(methyl)carbamoyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;methoxyethane?

The IUPAC name of tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-[methoxy(methyl)carbamoyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;methoxyethane (CID 160833337) is tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-[methoxy(methyl)carbamoyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;methoxyethane.

What is the SMILES notation for tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-[methoxy(methyl)carbamoyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;methoxyethane?

The canonical SMILES for tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-[methoxy(methyl)carbamoyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;methoxyethane is CCOC.CCc1cc(OC)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)OC(C)(C)C)C(C(=O)N(C)OC)C4)nn(C3CCCCO3)c2c1.CCc1cc(OC)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)OC(C)(C)C)C(C(=O)O)C4)nn(C3CCCCO3)c2c1.

What is the InChIKey of tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-[methoxy(methyl)carbamoyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;methoxyethane?

The InChIKey is SHCAHVSJCTYBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H57FN6O7Si.C39H52FN5O7Si.C3H8O/c1-11-26-21-35(51-6)30(42)22-29(26)27-15-16-28-32(20-27)48(36-14-12-13-17-54-36)44-37(28)38-43-31-23-33(39(49)45(5)52-7)46(40(50)55-41(2,3)4)24-34(31)47(38)25-53-18-19-56(8,9)10;1-9-24-19-33(49-5)28(40)20-27(24)25-13-14-26-30(18-25)45(34-12-10-11-15-51-34)42-35(26)36-41-29-21-31(37(46)47)43(38(48)52-39(2,3)4)22-32(29)44(36)23-50-16-17-53(6,7)8;1-3-4-2/h15-16,20-22,33,36H,11-14,17-19,23-25H2,1-10H3;13-14,18-20,31,34H,9-12,15-17,21-23H2,1-8H3,(H,46,47);3H2,1-2H3.

What are the key properties of tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-[methoxy(methyl)carbamoyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;methoxyethane?

tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-[methoxy(methyl)carbamoyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;methoxyethane has a molecular weight of 1603.08 g/mol, XLogP of 16.66, 24 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-[methoxy(methyl)carbamoyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;methoxyethane is sourced from PubChem (CID 160833337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).