[1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamoyl 2,2,2-trifluoroacetate

C27H26ClF5N4O5 — CID 90114032

About [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamoyl 2,2,2-trifluoroacetate

[1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamoyl 2,2,2-trifluoroacetate (PubChem CID 90114032) has the molecular formula C27H26ClF5N4O5 and a molecular weight of 616.97 g/mol. Its IUPAC name is [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamoyl 2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamoyl 2,2,2-trifluoroacetate
• PubChem CID: 90114032
• Molecular Formula: C27H26ClF5N4O5
• Molecular Weight: 616.97 g/mol
• Exact Mass: 616.15
• IUPAC Name: [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamoyl 2,2,2-trifluoroacetate
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCC1(NC(=O)OC(=O)C(F)(F)F)CCCCC1
• InChI: InChI=1S/C27H26ClF5N4O5/c1-15-21(37-13-16(28)12-20(22(37)35-15)41-14-17-18(29)6-5-7-19(17)30)23(38)34-11-10-26(8-3-2-4-9-26)36-25(40)42-24(39)27(31,32)33/h5-7,12-13H,2-4,8-11,14H2,1H3,(H,34,38)(H,36,40)
• InChIKey: HTNASVVALBDXBU-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 111.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.97
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamoyl 2,2,2-trifluoroacetate?

The IUPAC name of [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamoyl 2,2,2-trifluoroacetate (CID 90114032) is [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamoyl 2,2,2-trifluoroacetate.

What is the SMILES notation for [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamoyl 2,2,2-trifluoroacetate?

The canonical SMILES for [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamoyl 2,2,2-trifluoroacetate is Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCC1(NC(=O)OC(=O)C(F)(F)F)CCCCC1.

What is the InChIKey of [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamoyl 2,2,2-trifluoroacetate?

The InChIKey is HTNASVVALBDXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF5N4O5/c1-15-21(37-13-16(28)12-20(22(37)35-15)41-14-17-18(29)6-5-7-19(17)30)23(38)34-11-10-26(8-3-2-4-9-26)36-25(40)42-24(39)27(31,32)33/h5-7,12-13H,2-4,8-11,14H2,1H3,(H,34,38)(H,36,40).

What are the key properties of [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamoyl 2,2,2-trifluoroacetate?

[1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamoyl 2,2,2-trifluoroacetate has a molecular weight of 616.97 g/mol, XLogP of 5.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamoyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 90114032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).