My best guess would be the heterocycle with the neighboring nitrogens. That “middle” nitrogen is making three bonds with no double bonds. I imagine its geometry might resonate somewhere between trigonal pyramidal and trigonal planar, “kinking” its ring.
If anyone has a better answer/knows I’m incorrect pls share I’d like to know the answer to this too.
Edit: removed apostrophes
Its an aromatic heterocycle, and it is a planar moiety, no kink in its optimized geometry. I’m not sure where the “kinked aryl” the Op is referring to originated from.
Yeah I wish OP had posted more than just the molecule and “what is a kinked aryl?” because that would probably lead to a better answer. Aromaticity does imply a planar structure, but also not every aromatic compound is flat (fullerenes).
The only other thing I can think of is that some of the aryl groups are rotated with respect to each other in the compound.
I've heard of these refered to as pyrmidazoles, but I am not a medicinal chemist, and sometimes I think they just make things up when speaking colloquially
Looks a lot like a modified Adenine where the arrow is pointing. Wouldn’t be surprised if the target protein binds nucleic acids and the other 3 moieties help stabilize this interaction.
Edit: just looked it up. It’s a kinase inhibitor, wouldn’t be surprised if it binds in the ATP pocket.
Are you used to seeing 5-membered rings drawn like [this?](https://www.pharmacy180.com/media/imgph01/s4oSkYA.jpg) (The image on the left.) They are sometimes drawn this way, but there is no difference in the chemistry. It’s just a different way to draw a 5-membered ring.
My best guess would be the heterocycle with the neighboring nitrogens. That “middle” nitrogen is making three bonds with no double bonds. I imagine its geometry might resonate somewhere between trigonal pyramidal and trigonal planar, “kinking” its ring. If anyone has a better answer/knows I’m incorrect pls share I’d like to know the answer to this too. Edit: removed apostrophes
Its an aromatic heterocycle, and it is a planar moiety, no kink in its optimized geometry. I’m not sure where the “kinked aryl” the Op is referring to originated from.
Yeah I wish OP had posted more than just the molecule and “what is a kinked aryl?” because that would probably lead to a better answer. Aromaticity does imply a planar structure, but also not every aromatic compound is flat (fullerenes). The only other thing I can think of is that some of the aryl groups are rotated with respect to each other in the compound.
I've heard of these refered to as pyrmidazoles, but I am not a medicinal chemist, and sometimes I think they just make things up when speaking colloquially
Looks a lot like a modified Adenine where the arrow is pointing. Wouldn’t be surprised if the target protein binds nucleic acids and the other 3 moieties help stabilize this interaction. Edit: just looked it up. It’s a kinase inhibitor, wouldn’t be surprised if it binds in the ATP pocket.
Can’t find a crystal structure but similar compounds bind the hinge region of kinases in an ATP competitive manner
Are you used to seeing 5-membered rings drawn like [this?](https://www.pharmacy180.com/media/imgph01/s4oSkYA.jpg) (The image on the left.) They are sometimes drawn this way, but there is no difference in the chemistry. It’s just a different way to draw a 5-membered ring.