5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine

C24H33F3N6OSi — CID 123674189

About 5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine

5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine (PubChem CID 123674189) has the molecular formula C24H33F3N6OSi and a molecular weight of 506.65 g/mol. Its IUPAC name is 5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine
• PubChem CID: 123674189
• Molecular Formula: C24H33F3N6OSi
• Molecular Weight: 506.65 g/mol
• Exact Mass: 506.24
• IUPAC Name: 5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine
• SMILES: C[Si](C)(C)CCOCn1ccc2nc(-c3cc(C4CCCN(CC(F)(F)F)C4)cnc3N)cnc21
• InChI: InChI=1S/C24H33F3N6OSi/c1-35(2,3)10-9-34-16-33-8-6-20-23(33)30-13-21(31-20)19-11-18(12-29-22(19)28)17-5-4-7-32(14-17)15-24(25,26)27/h6,8,11-13,17H,4-5,7,9-10,14-16H2,1-3H3,(H2,28,29)
• InChIKey: WHTXXHQLQCNEQF-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 82.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.65
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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 5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine?

The IUPAC name of 5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine (CID 123674189) is 5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine.

What is the SMILES notation for 5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine?

The canonical SMILES for 5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine is C[Si](C)(C)CCOCn1ccc2nc(-c3cc(C4CCCN(CC(F)(F)F)C4)cnc3N)cnc21.

What is the InChIKey of 5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine?

The InChIKey is WHTXXHQLQCNEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F3N6OSi/c1-35(2,3)10-9-34-16-33-8-6-20-23(33)30-13-21(31-20)19-11-18(12-29-22(19)28)17-5-4-7-32(14-17)15-24(25,26)27/h6,8,11-13,17H,4-5,7,9-10,14-16H2,1-3H3,(H2,28,29).

What are the key properties of 5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine?

5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine has a molecular weight of 506.65 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine is sourced from PubChem (CID 123674189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).