[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C24H21F2N7O — CID 25123277

About [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 25123277) has the molecular formula C24H21F2N7O and a molecular weight of 461.48 g/mol. Its IUPAC name is [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

• Compound Name: [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
• PubChem CID: 25123277
• Molecular Formula: C24H21F2N7O
• Molecular Weight: 461.48 g/mol
• Exact Mass: 461.18
• IUPAC Name: [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
• SMILES: Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC3C2CNc2cnc3cc(F)c(F)cc3n2)c1
• InChI: InChI=1S/C24H21F2N7O/c1-13-2-3-21(33-29-4-5-30-33)16(6-13)24(34)32-12-14-7-15(14)22(32)10-28-23-11-27-19-8-17(25)18(26)9-20(19)31-23/h2-6,8-9,11,14-15,22H,7,10,12H2,1H3,(H,28,31)
• InChIKey: LUNJRACINOMBBE-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.48
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?

The IUPAC name of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 25123277) is [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

What is the SMILES notation for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?

The canonical SMILES for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC3C2CNc2cnc3cc(F)c(F)cc3n2)c1.

What is the InChIKey of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?

The InChIKey is LUNJRACINOMBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N7O/c1-13-2-3-21(33-29-4-5-30-33)16(6-13)24(34)32-12-14-7-15(14)22(32)10-28-23-11-27-19-8-17(25)18(26)9-20(19)31-23/h2-6,8-9,11,14-15,22H,7,10,12H2,1H3,(H,28,31).

What are the key properties of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?

[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 461.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 25123277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).