N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-difluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine

C27H34F2N6O3Si — CID 123655385

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-difluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-difluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 123655385) has the molecular formula C27H34F2N6O3Si and a molecular weight of 556.69 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-difluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

• Compound Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-difluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
• PubChem CID: 123655385
• Molecular Formula: C27H34F2N6O3Si
• Molecular Weight: 556.69 g/mol
• Exact Mass: 556.24
• IUPAC Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-difluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
• SMILES: COc1cc(OC)c(F)c(N(CCO[Si](C)(C)C(C)(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1F
• InChI: InChI=1S/C27H34F2N6O3Si/c1-27(2,3)39(7,8)38-12-11-35(25-23(28)20(36-5)13-21(37-6)24(25)29)22-10-9-18-26(33-22)32-19(15-30-18)17-14-31-34(4)16-17/h9-10,13-16H,11-12H2,1-8H3
• InChIKey: JIGABHFWYMZRQO-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 87.42 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.69
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-difluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?

The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-difluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine (CID 123655385) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-difluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine.

What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-difluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?

The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-difluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine is COc1cc(OC)c(F)c(N(CCO[Si](C)(C)C(C)(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1F.

What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-difluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?

The InChIKey is JIGABHFWYMZRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F2N6O3Si/c1-27(2,3)39(7,8)38-12-11-35(25-23(28)20(36-5)13-21(37-6)24(25)29)22-10-9-18-26(33-22)32-19(15-30-18)17-14-31-34(4)16-17/h9-10,13-16H,11-12H2,1-8H3.

What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-difluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-difluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 556.69 g/mol, XLogP of 5.88, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-difluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 123655385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).