3-(7-azabicyclo[2.2.1]heptan-2-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpropanamide

C27H29F3N6O2 — CID 91207690

About 3-(7-azabicyclo[2.2.1]heptan-2-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpropanamide

3-(7-azabicyclo[2.2.1]heptan-2-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpropanamide (PubChem CID 91207690) has the molecular formula C27H29F3N6O2 and a molecular weight of 526.56 g/mol. Its IUPAC name is 3-(7-azabicyclo[2.2.1]heptan-2-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpropanamide.

Molecular Properties

• Compound Name: 3-(7-azabicyclo[2.2.1]heptan-2-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpropanamide
• PubChem CID: 91207690
• Molecular Formula: C27H29F3N6O2
• Molecular Weight: 526.56 g/mol
• Exact Mass: 526.23
• IUPAC Name: 3-(7-azabicyclo[2.2.1]heptan-2-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpropanamide
• SMILES: CN(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C(=O)CCC1CC2CCC1N2
• InChI: InChI=1S/C27H29F3N6O2/c1-35(25(37)8-4-16-11-18-5-6-20(16)33-18)9-10-38-24-7-3-17(12-19(24)27(28,29)30)21-13-23-26(22(14-31)34-21)32-15-36(23)2/h3,7,12-13,15-16,18,20,33H,4-6,8-11H2,1-2H3
• InChIKey: WOGSLIQQLXUCRD-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 96.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.56
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(7-azabicyclo[2.2.1]heptan-2-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpropanamide?

The IUPAC name of 3-(7-azabicyclo[2.2.1]heptan-2-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpropanamide (CID 91207690) is 3-(7-azabicyclo[2.2.1]heptan-2-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpropanamide.

What is the SMILES notation for 3-(7-azabicyclo[2.2.1]heptan-2-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpropanamide?

The canonical SMILES for 3-(7-azabicyclo[2.2.1]heptan-2-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpropanamide is CN(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C(=O)CCC1CC2CCC1N2.

What is the InChIKey of 3-(7-azabicyclo[2.2.1]heptan-2-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpropanamide?

The InChIKey is WOGSLIQQLXUCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N6O2/c1-35(25(37)8-4-16-11-18-5-6-20(16)33-18)9-10-38-24-7-3-17(12-19(24)27(28,29)30)21-13-23-26(22(14-31)34-21)32-15-36(23)2/h3,7,12-13,15-16,18,20,33H,4-6,8-11H2,1-2H3.

What are the key properties of 3-(7-azabicyclo[2.2.1]heptan-2-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpropanamide?

3-(7-azabicyclo[2.2.1]heptan-2-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpropanamide has a molecular weight of 526.56 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-azabicyclo[2.2.1]heptan-2-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpropanamide is sourced from PubChem (CID 91207690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).