2-(2-amino-3,3-dimethylcyclobutyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]ethanone

C24H27F2N3O2 — CID 152967550

About 2-(2-amino-3,3-dimethylcyclobutyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]ethanone

2-(2-amino-3,3-dimethylcyclobutyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]ethanone (PubChem CID 152967550) has the molecular formula C24H27F2N3O2 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-(2-amino-3,3-dimethylcyclobutyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2-amino-3,3-dimethylcyclobutyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]ethanone
• PubChem CID: 152967550
• Molecular Formula: C24H27F2N3O2
• Molecular Weight: 427.50 g/mol
• Exact Mass: 427.21
• IUPAC Name: 2-(2-amino-3,3-dimethylcyclobutyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]ethanone
• SMILES: Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CC3CC(C)(C)C3N)n2c1
• InChI: InChI=1S/C24H27F2N3O2/c1-13-8-20(31-12-16-17(25)6-5-7-18(16)26)23-28-14(2)21(29(23)11-13)19(30)9-15-10-24(3,4)22(15)27/h5-8,11,15,22H,9-10,12,27H2,1-4H3
• InChIKey: URUZVMJQQTZVGO-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 69.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.50
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3,3-dimethylcyclobutyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]ethanone?

The IUPAC name of 2-(2-amino-3,3-dimethylcyclobutyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]ethanone (CID 152967550) is 2-(2-amino-3,3-dimethylcyclobutyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]ethanone.

What is the SMILES notation for 2-(2-amino-3,3-dimethylcyclobutyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]ethanone?

The canonical SMILES for 2-(2-amino-3,3-dimethylcyclobutyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]ethanone is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CC3CC(C)(C)C3N)n2c1.

What is the InChIKey of 2-(2-amino-3,3-dimethylcyclobutyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]ethanone?

The InChIKey is URUZVMJQQTZVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O2/c1-13-8-20(31-12-16-17(25)6-5-7-18(16)26)23-28-14(2)21(29(23)11-13)19(30)9-15-10-24(3,4)22(15)27/h5-8,11,15,22H,9-10,12,27H2,1-4H3.

What are the key properties of 2-(2-amino-3,3-dimethylcyclobutyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]ethanone?

2-(2-amino-3,3-dimethylcyclobutyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]ethanone has a molecular weight of 427.50 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-3,3-dimethylcyclobutyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 152967550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).