4-bromo-5-[(5-fluoro-1,3,3-trimethylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile

C16H18BrFN4O — CID 172599336

About 4-bromo-5-[(5-fluoro-1,3,3-trimethylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile

4-bromo-5-[(5-fluoro-1,3,3-trimethylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile (PubChem CID 172599336) has the molecular formula C16H18BrFN4O and a molecular weight of 381.25 g/mol. Its IUPAC name is 4-bromo-5-[(5-fluoro-1,3,3-trimethylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 4-bromo-5-[(5-fluoro-1,3,3-trimethylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile
• PubChem CID: 172599336
• Molecular Formula: C16H18BrFN4O
• Molecular Weight: 381.25 g/mol
• Exact Mass: 380.06
• IUPAC Name: 4-bromo-5-[(5-fluoro-1,3,3-trimethylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile
• SMILES: CN1CC(F)C(Nc2ncc3oc(C#N)cc3c2Br)C(C)(C)C1
• InChI: InChI=1S/C16H18BrFN4O/c1-16(2)8-22(3)7-11(18)14(16)21-15-13(17)10-4-9(5-19)23-12(10)6-20-15/h4,6,11,14H,7-8H2,1-3H3,(H,20,21)
• InChIKey: XYCYCKUZTJFEHH-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 65.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.25
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(5-fluoro-1,3,3-trimethylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile?

The IUPAC name of 4-bromo-5-[(5-fluoro-1,3,3-trimethylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile (CID 172599336) is 4-bromo-5-[(5-fluoro-1,3,3-trimethylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile.

What is the SMILES notation for 4-bromo-5-[(5-fluoro-1,3,3-trimethylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile?

The canonical SMILES for 4-bromo-5-[(5-fluoro-1,3,3-trimethylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile is CN1CC(F)C(Nc2ncc3oc(C#N)cc3c2Br)C(C)(C)C1.

What is the InChIKey of 4-bromo-5-[(5-fluoro-1,3,3-trimethylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile?

The InChIKey is XYCYCKUZTJFEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN4O/c1-16(2)8-22(3)7-11(18)14(16)21-15-13(17)10-4-9(5-19)23-12(10)6-20-15/h4,6,11,14H,7-8H2,1-3H3,(H,20,21).

What are the key properties of 4-bromo-5-[(5-fluoro-1,3,3-trimethylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile?

4-bromo-5-[(5-fluoro-1,3,3-trimethylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile has a molecular weight of 381.25 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-5-[(5-fluoro-1,3,3-trimethylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 172599336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).