N-[(2,4-dimethoxyphenyl)methyl]-6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide

C31H36F4N4O5Si — CID 140756219

About N-[(2,4-dimethoxyphenyl)methyl]-6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 140756219) has the molecular formula C31H36F4N4O5Si and a molecular weight of 648.73 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 140756219
• Molecular Formula: C31H36F4N4O5Si
• Molecular Weight: 648.73 g/mol
• Exact Mass: 648.24
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: COc1ccc(CNC(=O)c2nn(COCC[Si](C)(C)C)c3cc(-c4cc(F)c(OC)cc4CC(F)(F)F)ncc23)c(OC)c1
• InChI: InChI=1S/C31H36F4N4O5Si/c1-41-21-8-7-19(27(12-21)42-2)16-37-30(40)29-23-17-36-25(14-26(23)39(38-29)18-44-9-10-45(4,5)6)22-13-24(32)28(43-3)11-20(22)15-31(33,34)35/h7-8,11-14,17H,9-10,15-16,18H2,1-6H3,(H,37,40)
• InChIKey: HYKQIQPMMJOESY-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 96.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.73
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide (CID 140756219) is N-[(2,4-dimethoxyphenyl)methyl]-6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2nn(COCC[Si](C)(C)C)c3cc(-c4cc(F)c(OC)cc4CC(F)(F)F)ncc23)c(OC)c1.

What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is HYKQIQPMMJOESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F4N4O5Si/c1-41-21-8-7-19(27(12-21)42-2)16-37-30(40)29-23-17-36-25(14-26(23)39(38-29)18-44-9-10-45(4,5)6)22-13-24(32)28(43-3)11-20(22)15-31(33,34)35/h7-8,11-14,17H,9-10,15-16,18H2,1-6H3,(H,37,40).

What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide?

N-[(2,4-dimethoxyphenyl)methyl]-6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 648.73 g/mol, XLogP of 6.61, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 140756219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).