2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylacetamide

C26H27F3N6O2 — CID 59410704

About 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylacetamide

2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylacetamide (PubChem CID 59410704) has the molecular formula C26H27F3N6O2 and a molecular weight of 512.54 g/mol. Its IUPAC name is 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylacetamide
• PubChem CID: 59410704
• Molecular Formula: C26H27F3N6O2
• Molecular Weight: 512.54 g/mol
• Exact Mass: 512.21
• IUPAC Name: 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylacetamide
• SMILES: CN(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C(=O)CN1C2CCC1CC2
• InChI: InChI=1S/C26H27F3N6O2/c1-33(24(36)14-35-17-4-5-18(35)7-6-17)9-10-37-23-8-3-16(11-19(23)26(27,28)29)20-12-22-25(21(13-30)32-20)31-15-34(22)2/h3,8,11-12,15,17-18H,4-7,9-10,14H2,1-2H3
• InChIKey: VURNVLAAKCUFHT-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 87.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.54
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylacetamide?

The IUPAC name of 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylacetamide (CID 59410704) is 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylacetamide.

What is the SMILES notation for 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylacetamide?

The canonical SMILES for 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylacetamide is CN(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C(=O)CN1C2CCC1CC2.

What is the InChIKey of 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylacetamide?

The InChIKey is VURNVLAAKCUFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O2/c1-33(24(36)14-35-17-4-5-18(35)7-6-17)9-10-37-23-8-3-16(11-19(23)26(27,28)29)20-12-22-25(21(13-30)32-20)31-15-34(22)2/h3,8,11-12,15,17-18H,4-7,9-10,14H2,1-2H3.

What are the key properties of 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylacetamide?

2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylacetamide has a molecular weight of 512.54 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylacetamide is sourced from PubChem (CID 59410704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).