N-(2-fluoro-3,5-dimethoxyphenyl)-3-[1-(oxetan-3-yl)pyrazol-4-yl]-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine

C31H37FN8O4Si — CID 123211188

About N-(2-fluoro-3,5-dimethoxyphenyl)-3-[1-(oxetan-3-yl)pyrazol-4-yl]-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine

N-(2-fluoro-3,5-dimethoxyphenyl)-3-[1-(oxetan-3-yl)pyrazol-4-yl]-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine (PubChem CID 123211188) has the molecular formula C31H37FN8O4Si and a molecular weight of 632.77 g/mol. Its IUPAC name is N-(2-fluoro-3,5-dimethoxyphenyl)-3-[1-(oxetan-3-yl)pyrazol-4-yl]-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

• Compound Name: N-(2-fluoro-3,5-dimethoxyphenyl)-3-[1-(oxetan-3-yl)pyrazol-4-yl]-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine
• PubChem CID: 123211188
• Molecular Formula: C31H37FN8O4Si
• Molecular Weight: 632.77 g/mol
• Exact Mass: 632.27
• IUPAC Name: N-(2-fluoro-3,5-dimethoxyphenyl)-3-[1-(oxetan-3-yl)pyrazol-4-yl]-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine
• SMILES: COc1cc(OC)c(F)c(N(Cc2nccn2COCC[Si](C)(C)C)c2ccc3ncc(-c4cnn(C5COC5)c4)nc3n2)c1
• InChI: InChI=1S/C31H37FN8O4Si/c1-41-23-12-26(30(32)27(13-23)42-2)39(17-29-33-8-9-38(29)20-43-10-11-45(3,4)5)28-7-6-24-31(37-28)36-25(15-34-24)21-14-35-40(16-21)22-18-44-19-22/h6-9,12-16,22H,10-11,17-20H2,1-5H3
• InChIKey: CYOMOLDUDCVPRY-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 114.47 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	632.77
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-fluoro-3,5-dimethoxyphenyl)-3-[1-(oxetan-3-yl)pyrazol-4-yl]-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine?

The IUPAC name of N-(2-fluoro-3,5-dimethoxyphenyl)-3-[1-(oxetan-3-yl)pyrazol-4-yl]-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine (CID 123211188) is N-(2-fluoro-3,5-dimethoxyphenyl)-3-[1-(oxetan-3-yl)pyrazol-4-yl]-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine.

What is the SMILES notation for N-(2-fluoro-3,5-dimethoxyphenyl)-3-[1-(oxetan-3-yl)pyrazol-4-yl]-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine?

The canonical SMILES for N-(2-fluoro-3,5-dimethoxyphenyl)-3-[1-(oxetan-3-yl)pyrazol-4-yl]-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine is COc1cc(OC)c(F)c(N(Cc2nccn2COCC[Si](C)(C)C)c2ccc3ncc(-c4cnn(C5COC5)c4)nc3n2)c1.

What is the InChIKey of N-(2-fluoro-3,5-dimethoxyphenyl)-3-[1-(oxetan-3-yl)pyrazol-4-yl]-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine?

The InChIKey is CYOMOLDUDCVPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN8O4Si/c1-41-23-12-26(30(32)27(13-23)42-2)39(17-29-33-8-9-38(29)20-43-10-11-45(3,4)5)28-7-6-24-31(37-28)36-25(15-34-24)21-14-35-40(16-21)22-18-44-19-22/h6-9,12-16,22H,10-11,17-20H2,1-5H3.

What are the key properties of N-(2-fluoro-3,5-dimethoxyphenyl)-3-[1-(oxetan-3-yl)pyrazol-4-yl]-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine?

N-(2-fluoro-3,5-dimethoxyphenyl)-3-[1-(oxetan-3-yl)pyrazol-4-yl]-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 632.77 g/mol, XLogP of 5.46, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoro-3,5-dimethoxyphenyl)-3-[1-(oxetan-3-yl)pyrazol-4-yl]-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 123211188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).