1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid

C21H22F2N4O4 — CID 90114031

About 1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid

1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid (PubChem CID 90114031) has the molecular formula C21H22F2N4O4 and a molecular weight of 432.43 g/mol. Its IUPAC name is 1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid.

Molecular Properties

• Compound Name: 1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid
• PubChem CID: 90114031
• Molecular Formula: C21H22F2N4O4
• Molecular Weight: 432.43 g/mol
• Exact Mass: 432.16
• IUPAC Name: 1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid
• SMILES: Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(C)NC(=O)O)n2c1
• InChI: InChI=1S/C21H22F2N4O4/c1-11-7-17(31-10-14-15(22)5-4-6-16(14)23)19-26-13(3)18(27(19)9-11)20(28)24-8-12(2)25-21(29)30/h4-7,9,12,25H,8,10H2,1-3H3,(H,24,28)(H,29,30)
• InChIKey: YZTVEXCLCFIJEO-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 104.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.43
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid?

The IUPAC name of 1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid (CID 90114031) is 1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid.

What is the SMILES notation for 1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid?

The canonical SMILES for 1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(C)NC(=O)O)n2c1.

What is the InChIKey of 1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid?

The InChIKey is YZTVEXCLCFIJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O4/c1-11-7-17(31-10-14-15(22)5-4-6-16(14)23)19-26-13(3)18(27(19)9-11)20(28)24-8-12(2)25-21(29)30/h4-7,9,12,25H,8,10H2,1-3H3,(H,24,28)(H,29,30).

What are the key properties of 1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid?

1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid has a molecular weight of 432.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid is sourced from PubChem (CID 90114031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).