[7-(6,7-difluoroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone

C24H20F3N7O — CID 71554089

About [7-(6,7-difluoroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone

[7-(6,7-difluoroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone (PubChem CID 71554089) has the molecular formula C24H20F3N7O and a molecular weight of 479.47 g/mol. Its IUPAC name is [7-(6,7-difluoroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone.

Molecular Properties

• Compound Name: [7-(6,7-difluoroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone
• PubChem CID: 71554089
• Molecular Formula: C24H20F3N7O
• Molecular Weight: 479.47 g/mol
• Exact Mass: 479.17
• IUPAC Name: [7-(6,7-difluoroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone
• SMILES: O=C(c1c(F)cccc1-n1nccn1)N1CC2CC(C1)CN(c1cnc3cc(F)c(F)cc3n1)C2
• InChI: InChI=1S/C24H20F3N7O/c25-16-2-1-3-21(34-29-4-5-30-34)23(16)24(35)33-12-14-6-15(13-33)11-32(10-14)22-9-28-19-7-17(26)18(27)8-20(19)31-22/h1-5,7-9,14-15H,6,10-13H2
• InChIKey: ZCYHKNSQYPWUIL-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 80.04 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.47
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [7-(6,7-difluoroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone?

The IUPAC name of [7-(6,7-difluoroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone (CID 71554089) is [7-(6,7-difluoroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone.

What is the SMILES notation for [7-(6,7-difluoroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone?

The canonical SMILES for [7-(6,7-difluoroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone is O=C(c1c(F)cccc1-n1nccn1)N1CC2CC(C1)CN(c1cnc3cc(F)c(F)cc3n1)C2.

What is the InChIKey of [7-(6,7-difluoroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone?

The InChIKey is ZCYHKNSQYPWUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O/c25-16-2-1-3-21(34-29-4-5-30-34)23(16)24(35)33-12-14-6-15(13-33)11-32(10-14)22-9-28-19-7-17(26)18(27)8-20(19)31-22/h1-5,7-9,14-15H,6,10-13H2.

What are the key properties of [7-(6,7-difluoroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone?

[7-(6,7-difluoroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone has a molecular weight of 479.47 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(6,7-difluoroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 71554089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).