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

C23H20ClF5N4O5 — CID 90113964

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

[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamoyl 2,2,2-trifluoroacetate (PubChem CID 90113964) has the molecular formula C23H20ClF5N4O5 and a molecular weight of 562.88 g/mol. Its IUPAC name is [2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamoyl 2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: [2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamoyl 2,2,2-trifluoroacetate
• PubChem CID: 90113964
• Molecular Formula: C23H20ClF5N4O5
• Molecular Weight: 562.88 g/mol
• Exact Mass: 562.10
• IUPAC Name: [2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamoyl 2,2,2-trifluoroacetate
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NC(C)(C)CNC(=O)OC(=O)C(F)(F)F
• InChI: InChI=1S/C23H20ClF5N4O5/c1-11-17(19(34)32-22(2,3)10-30-21(36)38-20(35)23(27,28)29)33-8-12(24)7-16(18(33)31-11)37-9-13-14(25)5-4-6-15(13)26/h4-8H,9-10H2,1-3H3,(H,30,36)(H,32,34)
• InChIKey: CLTCJSOQWOILDO-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 111.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.88
LogP ≤ 5	4.48
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 [2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamoyl 2,2,2-trifluoroacetate?

The IUPAC name of [2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamoyl 2,2,2-trifluoroacetate (CID 90113964) is [2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamoyl 2,2,2-trifluoroacetate.

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

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

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

The InChIKey is CLTCJSOQWOILDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF5N4O5/c1-11-17(19(34)32-22(2,3)10-30-21(36)38-20(35)23(27,28)29)33-8-12(24)7-16(18(33)31-11)37-9-13-14(25)5-4-6-15(13)26/h4-8H,9-10H2,1-3H3,(H,30,36)(H,32,34).

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

[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamoyl 2,2,2-trifluoroacetate has a molecular weight of 562.88 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamoyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 90113964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).