4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidin-2-amine

C25H34FN7O2Si — CID 68748790

About 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidin-2-amine

4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidin-2-amine (PubChem CID 68748790) has the molecular formula C25H34FN7O2Si and a molecular weight of 511.68 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidin-2-amine
• PubChem CID: 68748790
• Molecular Formula: C25H34FN7O2Si
• Molecular Weight: 511.68 g/mol
• Exact Mass: 511.25
• IUPAC Name: 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidin-2-amine
• SMILES: C[Si](C)(C)CCOCn1ncc2ccc(Nc3nc(N4CCC(F)(CN)CC4)c4occc4n3)cc21
• InChI: InChI=1S/C25H34FN7O2Si/c1-36(2,3)13-12-34-17-33-21-14-19(5-4-18(21)15-28-33)29-24-30-20-6-11-35-22(20)23(31-24)32-9-7-25(26,16-27)8-10-32/h4-6,11,14-15H,7-10,12-13,16-17,27H2,1-3H3,(H,29,30,31)
• InChIKey: RXXBJRVWKULFMI-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 107.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.68
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidin-2-amine?

The IUPAC name of 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidin-2-amine (CID 68748790) is 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidin-2-amine.

What is the SMILES notation for 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidin-2-amine?

The canonical SMILES for 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidin-2-amine is C[Si](C)(C)CCOCn1ncc2ccc(Nc3nc(N4CCC(F)(CN)CC4)c4occc4n3)cc21.

What is the InChIKey of 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidin-2-amine?

The InChIKey is RXXBJRVWKULFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN7O2Si/c1-36(2,3)13-12-34-17-33-21-14-19(5-4-18(21)15-28-33)29-24-30-20-6-11-35-22(20)23(31-24)32-9-7-25(26,16-27)8-10-32/h4-6,11,14-15H,7-10,12-13,16-17,27H2,1-3H3,(H,29,30,31).

What are the key properties of 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidin-2-amine?

4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidin-2-amine has a molecular weight of 511.68 g/mol, XLogP of 4.90, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 68748790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).