methyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-(1-methylpiperidin-4-yl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

C41H57FN6O5Si — CID 140909057

IUPACmethyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-(1-methylpiperidin-4-yl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCCc1cc(OC)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C3CCN(C)CC3)C(C(=O)OC)C4)nn(C3CCCCO3)c2c1
InChIInChI=1S/C41H57FN6O5Si/c1-8-27-22-37(50-3)32(42)23-31(27)28-12-13-30-34(21-28)48(38-11-9-10-18-53-38)44-39(30)40-43-33-24-35(41(49)51-4)46(29-14-16-45(2)17-15-29)25-36(33)47(40)26-52-19-20-54(5,6)7/h12-13,21-23,29,35,38H,8-11,14-20,24-26H2,1-7H3
InChIKeyDHXWVLZBFMZTBB-UHFFFAOYSA-N
MW761.03 g/mol
LogP7.28
Rot. Bonds12

About methyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-(1-methylpiperidin-4-yl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

methyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-(1-methylpiperidin-4-yl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 140909057) has the molecular formula C41H57FN6O5Si and a molecular weight of 761.03 g/mol. Its IUPAC name is methyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-(1-methylpiperidin-4-yl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-(1-methylpiperidin-4-yl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID140909057
Molecular FormulaC41H57FN6O5Si
Molecular Weight761.03 g/mol
Exact Mass760.41
IUPAC Namemethyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-(1-methylpiperidin-4-yl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCCc1cc(OC)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C3CCN(C)CC3)C(C(=O)OC)C4)nn(C3CCCCO3)c2c1
InChIInChI=1S/C41H57FN6O5Si/c1-8-27-22-37(50-3)32(42)23-31(27)28-12-13-30-34(21-28)48(38-11-9-10-18-53-38)44-39(30)40-43-33-24-35(41(49)51-4)46(29-14-16-45(2)17-15-29)25-36(33)47(40)26-52-19-20-54(5,6)7/h12-13,21-23,29,35,38H,8-11,14-20,24-26H2,1-7H3
InChIKeyDHXWVLZBFMZTBB-UHFFFAOYSA-N
XLogP7.28
TPSA96.11 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500761.03
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-(1-methylpiperidin-4-yl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-(1-methylpiperidin-4-yl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-(1-methylpiperidin-4-yl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (CID 140909057) is methyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-(1-methylpiperidin-4-yl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-(1-methylpiperidin-4-yl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-(1-methylpiperidin-4-yl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is CCc1cc(OC)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C3CCN(C)CC3)C(C(=O)OC)C4)nn(C3CCCCO3)c2c1.
What is the InChIKey of methyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-(1-methylpiperidin-4-yl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is DHXWVLZBFMZTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H57FN6O5Si/c1-8-27-22-37(50-3)32(42)23-31(27)28-12-13-30-34(21-28)48(38-11-9-10-18-53-38)44-39(30)40-43-33-24-35(41(49)51-4)46(29-14-16-45(2)17-15-29)25-36(33)47(40)26-52-19-20-54(5,6)7/h12-13,21-23,29,35,38H,8-11,14-20,24-26H2,1-7H3.
What are the key properties of methyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-(1-methylpiperidin-4-yl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
methyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-(1-methylpiperidin-4-yl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 761.03 g/mol, XLogP of 7.28, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-(1-methylpiperidin-4-yl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 140909057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).