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

C23H22ClF5N4O6 — CID 90113960

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

[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid;2,2,2-trifluoroacetic acid (PubChem CID 90113960) has the molecular formula C23H22ClF5N4O6 and a molecular weight of 580.89 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]carbamic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid;2,2,2-trifluoroacetic acid
• PubChem CID: 90113960
• Molecular Formula: C23H22ClF5N4O6
• Molecular Weight: 580.89 g/mol
• Exact Mass: 580.11
• IUPAC Name: [2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid;2,2,2-trifluoroacetic acid
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NC(C)(C)CNC(=O)O.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H21ClF2N4O4.C2HF3O2/c1-11-17(19(29)27-21(2,3)10-25-20(30)31)28-8-12(22)7-16(18(28)26-11)32-9-13-14(23)5-4-6-15(13)24;3-2(4,5)1(6)7/h4-8,25H,9-10H2,1-3H3,(H,27,29)(H,30,31);(H,6,7)
• InChIKey: XUGYNHXPOWXFJT-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 142.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.89
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

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]carbamic acid;2,2,2-trifluoroacetic acid?

The IUPAC name of [2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid;2,2,2-trifluoroacetic acid (CID 90113960) is [2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid;2,2,2-trifluoroacetic acid.

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]carbamic acid;2,2,2-trifluoroacetic acid?

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

The InChIKey is XUGYNHXPOWXFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N4O4.C2HF3O2/c1-11-17(19(29)27-21(2,3)10-25-20(30)31)28-8-12(22)7-16(18(28)26-11)32-9-13-14(23)5-4-6-15(13)24;3-2(4,5)1(6)7/h4-8,25H,9-10H2,1-3H3,(H,27,29)(H,30,31);(H,6,7).

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]carbamic acid;2,2,2-trifluoroacetic acid?

[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid;2,2,2-trifluoroacetic acid has a molecular weight of 580.89 g/mol, XLogP of 4.56, 7 rotatable bonds, 4 hydrogen bond donors, and 6 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]carbamic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 90113960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).