methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-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

C40H55FN6O5Si — CID 140909048

IUPACmethyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-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(O)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C3CCN(C)CC3)C(C(=O)OC)C4)nn(C3CCCCO3)c2c1
InChIInChI=1S/C40H55FN6O5Si/c1-7-26-21-36(48)31(41)22-30(26)27-11-12-29-33(20-27)47(37-10-8-9-17-52-37)43-38(29)39-42-32-23-34(40(49)50-3)45(28-13-15-44(2)16-14-28)24-35(32)46(39)25-51-18-19-53(4,5)6/h11-12,20-22,28,34,37,48H,7-10,13-19,23-25H2,1-6H3
InChIKeyZDFCXIFEQRKJMG-UHFFFAOYSA-N
MW747.00 g/mol
LogP6.98
Rot. Bonds11

About methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-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-hydroxyphenyl)-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 140909048) has the molecular formula C40H55FN6O5Si and a molecular weight of 747.00 g/mol. Its IUPAC name is methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-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-hydroxyphenyl)-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 CID140909048
Molecular FormulaC40H55FN6O5Si
Molecular Weight747.00 g/mol
Exact Mass746.40
IUPAC Namemethyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-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(O)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C3CCN(C)CC3)C(C(=O)OC)C4)nn(C3CCCCO3)c2c1
InChIInChI=1S/C40H55FN6O5Si/c1-7-26-21-36(48)31(41)22-30(26)27-11-12-29-33(20-27)47(37-10-8-9-17-52-37)43-38(29)39-42-32-23-34(40(49)50-3)45(28-13-15-44(2)16-14-28)24-35(32)46(39)25-51-18-19-53(4,5)6/h11-12,20-22,28,34,37,48H,7-10,13-19,23-25H2,1-6H3
InChIKeyZDFCXIFEQRKJMG-UHFFFAOYSA-N
XLogP6.98
TPSA107.11 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500747.00
LogP ≤ 56.98
H-Bond Donors ≤ 51
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-hydroxyphenyl)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-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-hydroxyphenyl)-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 140909048) is methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-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-hydroxyphenyl)-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-hydroxyphenyl)-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(O)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-hydroxyphenyl)-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 ZDFCXIFEQRKJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H55FN6O5Si/c1-7-26-21-36(48)31(41)22-30(26)27-11-12-29-33(20-27)47(37-10-8-9-17-52-37)43-38(29)39-42-32-23-34(40(49)50-3)45(28-13-15-44(2)16-14-28)24-35(32)46(39)25-51-18-19-53(4,5)6/h11-12,20-22,28,34,37,48H,7-10,13-19,23-25H2,1-6H3.
What are the key properties of methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-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-hydroxyphenyl)-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 747.00 g/mol, XLogP of 6.98, 11 rotatable bonds, 1 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-hydroxyphenyl)-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 140909048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).