3-bromoimidazo[1,2-a]pyridine;ethyl 2-hydroxyacetate;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine

C67H59BBrF8N17O10 — CID 167560429

About 3-bromoimidazo[1,2-a]pyridine;ethyl 2-hydroxyacetate;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine

3-bromoimidazo[1,2-a]pyridine;ethyl 2-hydroxyacetate;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 167560429) has the molecular formula C67H59BBrF8N17O10 and a molecular weight of 1505.02 g/mol. Its IUPAC name is 3-bromoimidazo[1,2-a]pyridine;ethyl 2-hydroxyacetate;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

• Compound Name: 3-bromoimidazo[1,2-a]pyridine;ethyl 2-hydroxyacetate;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine
• PubChem CID: 167560429
• Molecular Formula: C67H59BBrF8N17O10
• Molecular Weight: 1505.02 g/mol
• Exact Mass: 1503.38
• IUPAC Name: 3-bromoimidazo[1,2-a]pyridine;ethyl 2-hydroxyacetate;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine
• SMILES: Brc1cnc2ccccn12.CCOC(=O)CO.Cn1nc(CC(=O)COc2ccc(-c3cnc4ccccn34)cn2)cc1C(F)(F)F.Cn1nc(N)cc1C(F)(F)F.Fc1ccc(-c2cnc3ccccn23)cn1.O=C(O)COc1ccc(-c2cnc3ccccn23)cn1.OB(O)c1ccc(F)nc1
• InChI: InChI=1S/C20H16F3N5O2.C14H11N3O3.C12H8FN3.C7H5BrN2.C5H5BFNO2.C5H6F3N3.C4H8O3/c1-27-17(20(21,22)23)9-14(26-27)8-15(29)12-30-19-6-5-13(10-25-19)16-11-24-18-4-2-3-7-28(16)18;18-14(19)9-20-13-5-4-10(7-16-13)11-8-15-12-3-1-2-6-17(11)12;13-11-5-4-9(7-14-11)10-8-15-12-3-1-2-6-16(10)12;8-6-5-9-7-3-1-2-4-10(6)7;7-5-2-1-4(3-8-5)6(9)10;1-11-3(5(6,7)8)2-4(9)10-11;1-2-7-4(6)3-5/h2-7,9-11H,8,12H2,1H3;1-8H,9H2,(H,18,19);1-8H;1-5H;1-3,9-10H;2H,1H3,(H2,9,10);5H,2-3H2,1H3
• InChIKey: DOVAJBMOGDDDDT-UHFFFAOYSA-N
• XLogP: 9.29
• TPSA: 342.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1505.02
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromoimidazo[1,2-a]pyridine;ethyl 2-hydroxyacetate;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?

The IUPAC name of 3-bromoimidazo[1,2-a]pyridine;ethyl 2-hydroxyacetate;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine (CID 167560429) is 3-bromoimidazo[1,2-a]pyridine;ethyl 2-hydroxyacetate;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine.

What is the SMILES notation for 3-bromoimidazo[1,2-a]pyridine;ethyl 2-hydroxyacetate;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?

The canonical SMILES for 3-bromoimidazo[1,2-a]pyridine;ethyl 2-hydroxyacetate;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine is Brc1cnc2ccccn12.CCOC(=O)CO.Cn1nc(CC(=O)COc2ccc(-c3cnc4ccccn34)cn2)cc1C(F)(F)F.Cn1nc(N)cc1C(F)(F)F.Fc1ccc(-c2cnc3ccccn23)cn1.O=C(O)COc1ccc(-c2cnc3ccccn23)cn1.OB(O)c1ccc(F)nc1.

What is the InChIKey of 3-bromoimidazo[1,2-a]pyridine;ethyl 2-hydroxyacetate;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?

The InChIKey is DOVAJBMOGDDDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2.C14H11N3O3.C12H8FN3.C7H5BrN2.C5H5BFNO2.C5H6F3N3.C4H8O3/c1-27-17(20(21,22)23)9-14(26-27)8-15(29)12-30-19-6-5-13(10-25-19)16-11-24-18-4-2-3-7-28(16)18;18-14(19)9-20-13-5-4-10(7-16-13)11-8-15-12-3-1-2-6-17(11)12;13-11-5-4-9(7-14-11)10-8-15-12-3-1-2-6-16(10)12;8-6-5-9-7-3-1-2-4-10(6)7;7-5-2-1-4(3-8-5)6(9)10;1-11-3(5(6,7)8)2-4(9)10-11;1-2-7-4(6)3-5/h2-7,9-11H,8,12H2,1H3;1-8H,9H2,(H,18,19);1-8H;1-5H;1-3,9-10H;2H,1H3,(H2,9,10);5H,2-3H2,1H3.

What are the key properties of 3-bromoimidazo[1,2-a]pyridine;ethyl 2-hydroxyacetate;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?

3-bromoimidazo[1,2-a]pyridine;ethyl 2-hydroxyacetate;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 1505.02 g/mol, XLogP of 9.29, 14 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromoimidazo[1,2-a]pyridine;ethyl 2-hydroxyacetate;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 167560429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).