3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;1-(4-methoxyphenyl)ethanone;methyl propanoate

C101H89BrF5I4N17O17 — CID 158526901

About 3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;1-(4-methoxyphenyl)ethanone;methyl propanoate

3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;1-(4-methoxyphenyl)ethanone;methyl propanoate (PubChem CID 158526901) has the molecular formula C101H89BrF5I4N17O17 and a molecular weight of 2495.43 g/mol. Its IUPAC name is 3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;1-(4-methoxyphenyl)ethanone;methyl propanoate.

Molecular Properties

• Compound Name: 3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;1-(4-methoxyphenyl)ethanone;methyl propanoate
• PubChem CID: 158526901
• Molecular Formula: C101H89BrF5I4N17O17
• Molecular Weight: 2495.43 g/mol
• Exact Mass: 2493.19
• IUPAC Name: 3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;1-(4-methoxyphenyl)ethanone;methyl propanoate
• SMILES: CCC(=O)CC(=O)c1ccc(OC)c(I)c1.CCC(=O)OC.CCc1nc2ncc(F)cn2c1C(=O)c1cc(Br)c(O)c(C#N)c1.CCc1nc2ncc(F)cn2c1C(=O)c1ccc(O)c(C#N)c1.CCc1nc2ncc(F)cn2c1C(=O)c1ccc(O)c(I)c1.CCc1nc2ncc(F)cn2c1C(=O)c1ccc(OC)c(I)c1.COc1ccc(C(C)=O)cc1.COc1ccc(C(C)=O)cc1I.Nc1ncc(F)cn1
• InChI: InChI=1S/C16H10BrFN4O2.C16H13FIN3O2.C16H11FN4O2.C15H11FIN3O2.C12H13IO3.C9H9IO2.C9H10O2.C4H4FN3.C4H8O2/c1-2-12-13(22-7-10(18)6-20-16(22)21-12)15(24)8-3-9(5-19)14(23)11(17)4-8;1-3-12-14(21-8-10(17)7-19-16(21)20-12)15(22)9-4-5-13(23-2)11(18)6-9;1-2-12-14(21-8-11(17)7-19-16(21)20-12)15(23)9-3-4-13(22)10(5-9)6-18;1-2-11-13(20-7-9(16)6-18-15(20)19-11)14(22)8-3-4-12(21)10(17)5-8;1-3-9(14)7-11(15)8-4-5-12(16-2)10(13)6-8;1-6(11)7-3-4-9(12-2)8(10)5-7;1-7(10)8-3-5-9(11-2)6-4-8;5-3-1-7-4(6)8-2-3;1-3-4(5)6-2/h3-4,6-7,23H,2H2,1H3;4-8H,3H2,1-2H3;3-5,7-8,22H,2H2,1H3;3-7,21H,2H2,1H3;4-6H,3,7H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;1-2H,(H2,6,7,8);3H2,1-2H3
• InChIKey: HMWVAXDKGNEIBP-UHFFFAOYSA-N
• XLogP: 19.51
• TPSA: 480.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2495.43
LogP ≤ 5	19.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;1-(4-methoxyphenyl)ethanone;methyl propanoate?

The IUPAC name of 3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;1-(4-methoxyphenyl)ethanone;methyl propanoate (CID 158526901) is 3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;1-(4-methoxyphenyl)ethanone;methyl propanoate.

What is the SMILES notation for 3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;1-(4-methoxyphenyl)ethanone;methyl propanoate?

The canonical SMILES for 3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;1-(4-methoxyphenyl)ethanone;methyl propanoate is CCC(=O)CC(=O)c1ccc(OC)c(I)c1.CCC(=O)OC.CCc1nc2ncc(F)cn2c1C(=O)c1cc(Br)c(O)c(C#N)c1.CCc1nc2ncc(F)cn2c1C(=O)c1ccc(O)c(C#N)c1.CCc1nc2ncc(F)cn2c1C(=O)c1ccc(O)c(I)c1.CCc1nc2ncc(F)cn2c1C(=O)c1ccc(OC)c(I)c1.COc1ccc(C(C)=O)cc1.COc1ccc(C(C)=O)cc1I.Nc1ncc(F)cn1.

What is the InChIKey of 3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;1-(4-methoxyphenyl)ethanone;methyl propanoate?

The InChIKey is HMWVAXDKGNEIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN4O2.C16H13FIN3O2.C16H11FN4O2.C15H11FIN3O2.C12H13IO3.C9H9IO2.C9H10O2.C4H4FN3.C4H8O2/c1-2-12-13(22-7-10(18)6-20-16(22)21-12)15(24)8-3-9(5-19)14(23)11(17)4-8;1-3-12-14(21-8-10(17)7-19-16(21)20-12)15(22)9-4-5-13(23-2)11(18)6-9;1-2-12-14(21-8-11(17)7-19-16(21)20-12)15(23)9-3-4-13(22)10(5-9)6-18;1-2-11-13(20-7-9(16)6-18-15(20)19-11)14(22)8-3-4-12(21)10(17)5-8;1-3-9(14)7-11(15)8-4-5-12(16-2)10(13)6-8;1-6(11)7-3-4-9(12-2)8(10)5-7;1-7(10)8-3-5-9(11-2)6-4-8;5-3-1-7-4(6)8-2-3;1-3-4(5)6-2/h3-4,6-7,23H,2H2,1H3;4-8H,3H2,1-2H3;3-5,7-8,22H,2H2,1H3;3-7,21H,2H2,1H3;4-6H,3,7H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;1-2H,(H2,6,7,8);3H2,1-2H3.

What are the key properties of 3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;1-(4-methoxyphenyl)ethanone;methyl propanoate?

3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;1-(4-methoxyphenyl)ethanone;methyl propanoate has a molecular weight of 2495.43 g/mol, XLogP of 19.51, 23 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;1-(4-methoxyphenyl)ethanone;methyl propanoate is sourced from PubChem (CID 158526901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).