[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid

C23H20F8N4O6 — CID 90114133

About [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid

[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid (PubChem CID 90114133) has the molecular formula C23H20F8N4O6 and a molecular weight of 600.42 g/mol. Its IUPAC name is [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid
• PubChem CID: 90114133
• Molecular Formula: C23H20F8N4O6
• Molecular Weight: 600.42 g/mol
• Exact Mass: 600.13
• IUPAC Name: [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NCC(CC(F)(F)F)NC(=O)O.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H19F5N4O4.C2HF3O2/c1-11-17(19(31)27-9-12(29-20(32)33)8-21(24,25)26)30-7-3-6-16(18(30)28-11)34-10-13-14(22)4-2-5-15(13)23;3-2(4,5)1(6)7/h2-7,12,29H,8-10H2,1H3,(H,27,31)(H,32,33);(H,6,7)
• InChIKey: OBDYXLMZTBISEA-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 142.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.42
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid?

The IUPAC name of [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid (CID 90114133) is [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid?

The canonical SMILES for [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NCC(CC(F)(F)F)NC(=O)O.O=C(O)C(F)(F)F.

What is the InChIKey of [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid?

The InChIKey is OBDYXLMZTBISEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F5N4O4.C2HF3O2/c1-11-17(19(31)27-9-12(29-20(32)33)8-21(24,25)26)30-7-3-6-16(18(30)28-11)34-10-13-14(22)4-2-5-15(13)23;3-2(4,5)1(6)7/h2-7,12,29H,8-10H2,1H3,(H,27,31)(H,32,33);(H,6,7).

What are the key properties of [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid?

[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid has a molecular weight of 600.42 g/mol, XLogP of 4.45, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 90114133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).