[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]acetamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine

C₁₂₀H₁₃₈F₅N₂₉O₉ — CID 157413444

About [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]acetamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine

[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]acetamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine (PubChem CID 157413444) has the molecular formula C₁₂₀H₁₃₈F₅N₂₉O₉ and a molecular weight of 2225.61 g/mol. Its IUPAC name is [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]acetamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine.

Molecular Properties

• Compound Name: [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]acetamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine
• PubChem CID: 157413444
• Molecular Formula: C₁₂₀H₁₃₈F₅N₂₉O₉
• Molecular Weight: 2225.61 g/mol
• Exact Mass: 2224.12
• IUPAC Name: [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]acetamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine
• SMILES: CC(=O)NCc1nn(C)c(C)c1CCOc1c(F)cccc1-c1ccc2ncc(CCN)n2c1.CNC(=O)c1nn(C)c(C)c1CCOc1c(F)cccc1-c1ccc2ncc(CCN)n2c1.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(C(=O)N(C)C)nn1C.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(CN)nn1C.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(CO)nn1C
• InChI: InChI=1S/2C25H29FN6O2.C24H27FN6O2.C23H27FN6O.C23H26FN5O2/c1-16-19(23(29-31(16)4)25(33)30(2)3)11-13-34-24-20(6-5-7-21(24)26)17-8-9-22-28-14-18(10-12-27)32(22)15-17;1-16-20(23(30-31(16)3)14-28-17(2)33)10-12-34-25-21(5-4-6-22(25)26)18-7-8-24-29-13-19(9-11-27)32(24)15-18;1-15-18(22(24(32)27-2)29-30(15)3)10-12-33-23-19(5-4-6-20(23)25)16-7-8-21-28-13-17(9-11-26)31(21)14-16;1-15-18(21(12-26)28-29(15)2)9-11-31-23-19(4-3-5-20(23)24)16-6-7-22-27-13-17(8-10-25)30(22)14-16;1-15-18(21(14-30)27-28(15)2)9-11-31-23-19(4-3-5-20(23)24)16-6-7-22-26-12-17(8-10-25)29(22)13-16/h5-9,14-15H,10-13,27H2,1-4H3;4-8,13,15H,9-12,14,27H2,1-3H3,(H,28,33);4-8,13-14H,9-12,26H2,1-3H3,(H,27,32);3-7,13-14H,8-12,25-26H2,1-2H3;3-7,12-13,30H,8-11,14,25H2,1-2H3
• InChIKey: BOOFRMCYGSDVOF-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 476.61 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 41
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2225.61
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]acetamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine?

The IUPAC name of [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]acetamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine (CID 157413444) is [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]acetamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine.

What is the SMILES notation for [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]acetamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine?

The canonical SMILES for [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]acetamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine is CC(=O)NCc1nn(C)c(C)c1CCOc1c(F)cccc1-c1ccc2ncc(CCN)n2c1.CNC(=O)c1nn(C)c(C)c1CCOc1c(F)cccc1-c1ccc2ncc(CCN)n2c1.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(C(=O)N(C)C)nn1C.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(CN)nn1C.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(CO)nn1C.

What is the InChIKey of [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]acetamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine?

The InChIKey is BOOFRMCYGSDVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H29FN6O2.C24H27FN6O2.C23H27FN6O.C23H26FN5O2/c1-16-19(23(29-31(16)4)25(33)30(2)3)11-13-34-24-20(6-5-7-21(24)26)17-8-9-22-28-14-18(10-12-27)32(22)15-17;1-16-20(23(30-31(16)3)14-28-17(2)33)10-12-34-25-21(5-4-6-22(25)26)18-7-8-24-29-13-19(9-11-27)32(24)15-18;1-15-18(22(24(32)27-2)29-30(15)3)10-12-33-23-19(5-4-6-20(23)25)16-7-8-21-28-13-17(9-11-26)31(21)14-16;1-15-18(21(12-26)28-29(15)2)9-11-31-23-19(4-3-5-20(23)24)16-6-7-22-27-13-17(8-10-25)30(22)14-16;1-15-18(21(14-30)27-28(15)2)9-11-31-23-19(4-3-5-20(23)24)16-6-7-22-26-12-17(8-10-25)29(22)13-16/h5-9,14-15H,10-13,27H2,1-4H3;4-8,13,15H,9-12,14,27H2,1-3H3,(H,28,33);4-8,13-14H,9-12,26H2,1-3H3,(H,27,32);3-7,13-14H,8-12,25-26H2,1-2H3;3-7,12-13,30H,8-11,14,25H2,1-2H3.

What are the key properties of [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]acetamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine?

[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]acetamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine has a molecular weight of 2225.61 g/mol, XLogP of 14.17, 41 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]acetamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine is sourced from PubChem (CID 157413444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157413444 — identifiers, structure, computed properties (public domain)

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