2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enamide;2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enoic acid;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]acetamide;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]methanesulfonamide;3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-ene-1,2-diamine

C₁₁₈H₁₄₄F₅N₂₉O₁₁S — CID 159985727

About 2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enamide;2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enoic acid;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]acetamide;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]methanesulfonamide;3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-ene-1,2-diamine

2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enamide;2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enoic acid;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]acetamide;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]methanesulfonamide;3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-ene-1,2-diamine (PubChem CID 159985727) has the molecular formula C₁₁₈H₁₄₄F₅N₂₉O₁₁S and a molecular weight of 2271.70 g/mol. Its IUPAC name is 2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enamide;2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enoic acid;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]acetamide;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]methanesulfonamide;3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-ene-1,2-diamine.

Molecular Properties

• Compound Name: 2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enamide;2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enoic acid;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]acetamide;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]methanesulfonamide;3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-ene-1,2-diamine
• PubChem CID: 159985727
• Molecular Formula: C₁₁₈H₁₄₄F₅N₂₉O₁₁S
• Molecular Weight: 2271.70 g/mol
• Exact Mass: 2270.12
• IUPAC Name: 2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enamide;2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enoic acid;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]acetamide;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]methanesulfonamide;3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-ene-1,2-diamine
• SMILES: C/N=C(\C)C(CCOc1c(F)cccc1-c1ccc2ncc(CCN)n2c1)=C(N)CN.C/N=C(\C)C(CCOc1c(F)cccc1-c1ccc2ncc(CCN)n2c1)=C(N)CNC(C)=O.C/N=C(\C)C(CCOc1c(F)cccc1-c1ccc2ncc(CCN)n2c1)=C(N)CNS(C)(=O)=O.C/N=C(\C)C(CCOc1ccc(F)cc1-c1ccc2ncc(CCN)n2c1)=C(N)C(=O)O.C/N=C(\C)C(CCOc1ccc(F)cc1-c1ccc2ncc(CCN)n2c1)=C(N)C(N)=O
• InChI: InChI=1S/C25H31FN6O2.C24H31FN6O3S.C23H27FN6O2.C23H29FN6O.C23H26FN5O3/c1-16(29-3)20(23(28)14-30-17(2)33)10-12-34-25-21(5-4-6-22(25)26)18-7-8-24-31-13-19(9-11-27)32(24)15-18;1-16(28-2)19(22(27)14-30-35(3,32)33)10-12-34-24-20(5-4-6-21(24)25)17-7-8-23-29-13-18(9-11-26)31(23)15-17;1-14(28-2)18(22(26)23(27)31)8-10-32-20-5-4-16(24)11-19(20)15-3-6-21-29-12-17(7-9-25)30(21)13-15;1-15(28-2)18(21(27)12-26)9-11-31-23-19(4-3-5-20(23)24)16-6-7-22-29-13-17(8-10-25)30(22)14-16;1-14(27-2)18(22(26)23(30)31)8-10-32-20-5-4-16(24)11-19(20)15-3-6-21-28-12-17(7-9-25)29(21)13-15/h4-8,13,15H,9-12,14,27-28H2,1-3H3,(H,30,33);4-8,13,15,30H,9-12,14,26-27H2,1-3H3;3-6,11-13H,7-10,25-26H2,1-2H3,(H2,27,31);3-7,13-14H,8-12,25-27H2,1-2H3;3-6,11-13H,7-10,25-26H2,1-2H3,(H,30,31)/b23-20?,29-16+;22-19?,28-16+;22-18?,28-14+;21-18?,28-15+;22-18?,27-14+
• InChIKey: GQNGYNWXBBNXTJ-IMSXSBHNSA-N
• XLogP: 12.78
• TPSA: 636.33 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 36
• Rotatable Bonds: 48
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2271.70
LogP ≤ 5	12.78
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enamide;2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enoic acid;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]acetamide;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]methanesulfonamide;3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-ene-1,2-diamine?

The IUPAC name of 2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enamide;2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enoic acid;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]acetamide;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]methanesulfonamide;3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-ene-1,2-diamine (CID 159985727) is 2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enamide;2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enoic acid;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]acetamide;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]methanesulfonamide;3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-ene-1,2-diamine.

What is the SMILES notation for 2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enamide;2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enoic acid;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]acetamide;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]methanesulfonamide;3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-ene-1,2-diamine?

The canonical SMILES for 2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enamide;2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enoic acid;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]acetamide;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]methanesulfonamide;3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-ene-1,2-diamine is C/N=C(\C)C(CCOc1c(F)cccc1-c1ccc2ncc(CCN)n2c1)=C(N)CN.C/N=C(\C)C(CCOc1c(F)cccc1-c1ccc2ncc(CCN)n2c1)=C(N)CNC(C)=O.C/N=C(\C)C(CCOc1c(F)cccc1-c1ccc2ncc(CCN)n2c1)=C(N)CNS(C)(=O)=O.C/N=C(\C)C(CCOc1ccc(F)cc1-c1ccc2ncc(CCN)n2c1)=C(N)C(=O)O.C/N=C(\C)C(CCOc1ccc(F)cc1-c1ccc2ncc(CCN)n2c1)=C(N)C(N)=O.

What is the InChIKey of 2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enamide;2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enoic acid;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]acetamide;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]methanesulfonamide;3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-ene-1,2-diamine?

The InChIKey is GQNGYNWXBBNXTJ-IMSXSBHNSA-N. The full InChI is InChI=1S/C25H31FN6O2.C24H31FN6O3S.C23H27FN6O2.C23H29FN6O.C23H26FN5O3/c1-16(29-3)20(23(28)14-30-17(2)33)10-12-34-25-21(5-4-6-22(25)26)18-7-8-24-31-13-19(9-11-27)32(24)15-18;1-16(28-2)19(22(27)14-30-35(3,32)33)10-12-34-24-20(5-4-6-21(24)25)17-7-8-23-29-13-18(9-11-26)31(23)15-17;1-14(28-2)18(22(26)23(27)31)8-10-32-20-5-4-16(24)11-19(20)15-3-6-21-29-12-17(7-9-25)30(21)13-15;1-15(28-2)18(21(27)12-26)9-11-31-23-19(4-3-5-20(23)24)16-6-7-22-29-13-17(8-10-25)30(22)14-16;1-14(27-2)18(22(26)23(30)31)8-10-32-20-5-4-16(24)11-19(20)15-3-6-21-28-12-17(7-9-25)29(21)13-15/h4-8,13,15H,9-12,14,27-28H2,1-3H3,(H,30,33);4-8,13,15,30H,9-12,14,26-27H2,1-3H3;3-6,11-13H,7-10,25-26H2,1-2H3,(H2,27,31);3-7,13-14H,8-12,25-27H2,1-2H3;3-6,11-13H,7-10,25-26H2,1-2H3,(H,30,31)/b23-20?,29-16+;22-19?,28-16+;22-18?,28-14+;21-18?,28-15+;22-18?,27-14+.

What are the key properties of 2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enamide;2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enoic acid;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]acetamide;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]methanesulfonamide;3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-ene-1,2-diamine?

2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enamide;2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enoic acid;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]acetamide;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]methanesulfonamide;3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-ene-1,2-diamine has a molecular weight of 2271.70 g/mol, XLogP of 12.78, 48 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enamide;2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-4-methyliminopent-2-enoic acid;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]acetamide;N-[2-amino-3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-enyl]methanesulfonamide;3-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-4-methyliminopent-2-ene-1,2-diamine is sourced from PubChem (CID 159985727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159985727 — identifiers, structure, computed properties (public domain)

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