1-(2-amino-2-methylpropyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-2-nitropropyl)pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1H-pyridin-2-one;1-[[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]oxy]-2-methylpropan-2-amine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-[2-(2-methyl-2-nitropropoxy)-4-pyridinyl]imidazo[1,2-a]pyridine;(2-methyl-2-nitropropyl) trifluoromethanesulfonate

C₁₂₆H₁₂₅F₁₃N₂₀O₁₉S — CID 158062193

About 1-(2-amino-2-methylpropyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-2-nitropropyl)pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1H-pyridin-2-one;1-[[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]oxy]-2-methylpropan-2-amine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-[2-(2-methyl-2-nitropropoxy)-4-pyridinyl]imidazo[1,2-a]pyridine;(2-methyl-2-nitropropyl) trifluoromethanesulfonate

1-(2-amino-2-methylpropyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-2-nitropropyl)pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1H-pyridin-2-one;1-[[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]oxy]-2-methylpropan-2-amine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-[2-(2-methyl-2-nitropropoxy)-4-pyridinyl]imidazo[1,2-a]pyridine;(2-methyl-2-nitropropyl) trifluoromethanesulfonate (PubChem CID 158062193) has the molecular formula C₁₂₆H₁₂₅F₁₃N₂₀O₁₉S and a molecular weight of 2502.55 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-2-nitropropyl)pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1H-pyridin-2-one;1-[[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]oxy]-2-methylpropan-2-amine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-[2-(2-methyl-2-nitropropoxy)-4-pyridinyl]imidazo[1,2-a]pyridine;(2-methyl-2-nitropropyl) trifluoromethanesulfonate.

Molecular Properties

• Compound Name: 1-(2-amino-2-methylpropyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-2-nitropropyl)pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1H-pyridin-2-one;1-[[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]oxy]-2-methylpropan-2-amine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-[2-(2-methyl-2-nitropropoxy)-4-pyridinyl]imidazo[1,2-a]pyridine;(2-methyl-2-nitropropyl) trifluoromethanesulfonate
• PubChem CID: 158062193
• Molecular Formula: C₁₂₆H₁₂₅F₁₃N₂₀O₁₉S
• Molecular Weight: 2502.55 g/mol
• Exact Mass: 2500.89
• IUPAC Name: 1-(2-amino-2-methylpropyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-2-nitropropyl)pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1H-pyridin-2-one;1-[[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]oxy]-2-methylpropan-2-amine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-[2-(2-methyl-2-nitropropoxy)-4-pyridinyl]imidazo[1,2-a]pyridine;(2-methyl-2-nitropropyl) trifluoromethanesulfonate
• SMILES: CC(C)(COS(=O)(=O)C(F)(F)F)[N+](=O)[O-].Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3cc[nH]c(=O)c3)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3ccn(CC(C)(C)N)c(=O)c3)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3ccn(CC(C)(C)[N+](=O)[O-])c(=O)c3)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3ccnc(OCC(C)(C)N)c3)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3ccnc(OCC(C)(C)[N+](=O)[O-])c3)n2c1
• InChI: InChI=1S/2C25H24F2N4O4.2C25H26F2N4O2.C21H17F2N3O2.C5H8F3NO5S/c1-15-10-21(35-13-18-19(26)6-5-7-20(18)27)24-28-16(2)23(30(24)12-15)17-8-9-29(22(32)11-17)14-25(3,4)31(33)34;1-15-10-21(34-13-18-19(26)6-5-7-20(18)27)24-29-16(2)23(30(24)12-15)17-8-9-28-22(11-17)35-14-25(3,4)31(32)33;1-15-10-21(33-13-18-19(26)6-5-7-20(18)27)24-29-16(2)23(31(24)12-15)17-8-9-30(22(32)11-17)14-25(3,4)28;1-15-10-21(32-13-18-19(26)6-5-7-20(18)27)24-30-16(2)23(31(24)12-15)17-8-9-29-22(11-17)33-14-25(3,4)28;1-12-8-18(28-11-15-16(22)4-3-5-17(15)23)21-25-13(2)20(26(21)10-12)14-6-7-24-19(27)9-14;1-4(2,9(10)11)3-14-15(12,13)5(6,7)8/h2*5-12H,13-14H2,1-4H3;2*5-12H,13-14,28H2,1-4H3;3-10H,11H2,1-2H3,(H,24,27);3H2,1-2H3
• InChIKey: FKUAUFLJUSAGQM-UHFFFAOYSA-N
• XLogP: 24.43
• TPSA: 478.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 36
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2502.55
LogP ≤ 5	24.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-2-nitropropyl)pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1H-pyridin-2-one;1-[[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]oxy]-2-methylpropan-2-amine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-[2-(2-methyl-2-nitropropoxy)-4-pyridinyl]imidazo[1,2-a]pyridine;(2-methyl-2-nitropropyl) trifluoromethanesulfonate?

The IUPAC name of 1-(2-amino-2-methylpropyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-2-nitropropyl)pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1H-pyridin-2-one;1-[[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]oxy]-2-methylpropan-2-amine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-[2-(2-methyl-2-nitropropoxy)-4-pyridinyl]imidazo[1,2-a]pyridine;(2-methyl-2-nitropropyl) trifluoromethanesulfonate (CID 158062193) is 1-(2-amino-2-methylpropyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-2-nitropropyl)pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1H-pyridin-2-one;1-[[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]oxy]-2-methylpropan-2-amine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-[2-(2-methyl-2-nitropropoxy)-4-pyridinyl]imidazo[1,2-a]pyridine;(2-methyl-2-nitropropyl) trifluoromethanesulfonate.

What is the SMILES notation for 1-(2-amino-2-methylpropyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-2-nitropropyl)pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1H-pyridin-2-one;1-[[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]oxy]-2-methylpropan-2-amine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-[2-(2-methyl-2-nitropropoxy)-4-pyridinyl]imidazo[1,2-a]pyridine;(2-methyl-2-nitropropyl) trifluoromethanesulfonate?

The canonical SMILES for 1-(2-amino-2-methylpropyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-2-nitropropyl)pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1H-pyridin-2-one;1-[[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]oxy]-2-methylpropan-2-amine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-[2-(2-methyl-2-nitropropoxy)-4-pyridinyl]imidazo[1,2-a]pyridine;(2-methyl-2-nitropropyl) trifluoromethanesulfonate is CC(C)(COS(=O)(=O)C(F)(F)F)[N+](=O)[O-].Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3cc[nH]c(=O)c3)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3ccn(CC(C)(C)N)c(=O)c3)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3ccn(CC(C)(C)[N+](=O)[O-])c(=O)c3)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3ccnc(OCC(C)(C)N)c3)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3ccnc(OCC(C)(C)[N+](=O)[O-])c3)n2c1.

What is the InChIKey of 1-(2-amino-2-methylpropyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-2-nitropropyl)pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1H-pyridin-2-one;1-[[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]oxy]-2-methylpropan-2-amine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-[2-(2-methyl-2-nitropropoxy)-4-pyridinyl]imidazo[1,2-a]pyridine;(2-methyl-2-nitropropyl) trifluoromethanesulfonate?

The InChIKey is FKUAUFLJUSAGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H24F2N4O4.2C25H26F2N4O2.C21H17F2N3O2.C5H8F3NO5S/c1-15-10-21(35-13-18-19(26)6-5-7-20(18)27)24-28-16(2)23(30(24)12-15)17-8-9-29(22(32)11-17)14-25(3,4)31(33)34;1-15-10-21(34-13-18-19(26)6-5-7-20(18)27)24-29-16(2)23(30(24)12-15)17-8-9-28-22(11-17)35-14-25(3,4)31(32)33;1-15-10-21(33-13-18-19(26)6-5-7-20(18)27)24-29-16(2)23(31(24)12-15)17-8-9-30(22(32)11-17)14-25(3,4)28;1-15-10-21(32-13-18-19(26)6-5-7-20(18)27)24-30-16(2)23(31(24)12-15)17-8-9-29-22(11-17)33-14-25(3,4)28;1-12-8-18(28-11-15-16(22)4-3-5-17(15)23)21-25-13(2)20(26(21)10-12)14-6-7-24-19(27)9-14;1-4(2,9(10)11)3-14-15(12,13)5(6,7)8/h2*5-12H,13-14H2,1-4H3;2*5-12H,13-14,28H2,1-4H3;3-10H,11H2,1-2H3,(H,24,27);3H2,1-2H3.

What are the key properties of 1-(2-amino-2-methylpropyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-2-nitropropyl)pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1H-pyridin-2-one;1-[[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]oxy]-2-methylpropan-2-amine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-[2-(2-methyl-2-nitropropoxy)-4-pyridinyl]imidazo[1,2-a]pyridine;(2-methyl-2-nitropropyl) trifluoromethanesulfonate?

1-(2-amino-2-methylpropyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-2-nitropropyl)pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1H-pyridin-2-one;1-[[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]oxy]-2-methylpropan-2-amine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-[2-(2-methyl-2-nitropropoxy)-4-pyridinyl]imidazo[1,2-a]pyridine;(2-methyl-2-nitropropyl) trifluoromethanesulfonate has a molecular weight of 2502.55 g/mol, XLogP of 24.43, 36 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-2-methylpropyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-2-nitropropyl)pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1H-pyridin-2-one;1-[[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]oxy]-2-methylpropan-2-amine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-[2-(2-methyl-2-nitropropoxy)-4-pyridinyl]imidazo[1,2-a]pyridine;(2-methyl-2-nitropropyl) trifluoromethanesulfonate is sourced from PubChem (CID 158062193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158062193 — identifiers, structure, computed properties (public domain)

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