potassium;acetyl chloride;4-[7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N-methylsulfonylacetamide;N,N-diethylethanamine;N-(5-difluoroboranyl-2-methoxy-3-pyridinyl)-N-methylsulfonylacetamide;methane;2-methoxy-3-(methylsulfonylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;oxane;fluoride

C77H112B2Br2ClF3KN13O20S6 — CID 159062204

About potassium;acetyl chloride;4-[7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N-methylsulfonylacetamide;N,N-diethylethanamine;N-(5-difluoroboranyl-2-methoxy-3-pyridinyl)-N-methylsulfonylacetamide;methane;2-methoxy-3-(methylsulfonylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;oxane;fluoride

potassium;acetyl chloride;4-[7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N-methylsulfonylacetamide;N,N-diethylethanamine;N-(5-difluoroboranyl-2-methoxy-3-pyridinyl)-N-methylsulfonylacetamide;methane;2-methoxy-3-(methylsulfonylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;oxane;fluoride (PubChem CID 159062204) has the molecular formula C77H112B2Br2ClF3KN13O20S6 and a molecular weight of 2045.19 g/mol. Its IUPAC name is potassium;acetyl chloride;4-[7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N-methylsulfonylacetamide;N,N-diethylethanamine;N-(5-difluoroboranyl-2-methoxy-3-pyridinyl)-N-methylsulfonylacetamide;methane;2-methoxy-3-(methylsulfonylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;oxane;fluoride.

Molecular Properties

• Compound Name: potassium;acetyl chloride;4-[7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N-methylsulfonylacetamide;N,N-diethylethanamine;N-(5-difluoroboranyl-2-methoxy-3-pyridinyl)-N-methylsulfonylacetamide;methane;2-methoxy-3-(methylsulfonylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;oxane;fluoride
• PubChem CID: 159062204
• Molecular Formula: C77H112B2Br2ClF3KN13O20S6
• Molecular Weight: 2045.19 g/mol
• Exact Mass: 2041.43
• IUPAC Name: potassium;acetyl chloride;4-[7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N-methylsulfonylacetamide;N,N-diethylethanamine;N-(5-difluoroboranyl-2-methoxy-3-pyridinyl)-N-methylsulfonylacetamide;methane;2-methoxy-3-(methylsulfonylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;oxane;fluoride
• SMILES: C.C.C1CCOCC1.CC(=O)Cl.CCN(CC)CC.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1N(C(C)=O)S(C)(=O)=O.COc1ncc(B(F)F)cc1N(C(C)=O)S(C)(=O)=O.COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1CS(C)(=O)=O.[F-].[K+]
• InChI: InChI=1S/C20H22BrN5O5S2.C19H21BrN4O4S2.C14H22BNO5S.C9H11BF2N2O4S.C6H15N.C5H10O.C2H3ClO.2CH4.FH.K/c1-11-15(21)17-18(32-11)16(23-20(24-17)25-5-7-31-8-6-25)13-9-14(19(30-3)22-10-13)26(12(2)27)33(4,28)29;1-11-14(20)16-17(29-11)15(22-19(23-16)24-4-6-28-7-5-24)12-8-13(10-30(3,25)26)18(27-2)21-9-12;1-13(2)14(3,4)21-15(20-13)11-7-10(9-22(6,17)18)12(19-5)16-8-11;1-6(15)14(19(3,16)17)8-4-7(10(11)12)5-13-9(8)18-2;1-4-7(5-2)6-3;1-2-4-6-5-3-1;1-2(3)4;;;;/h9-10H,5-8H2,1-4H3;8-9H,4-7,10H2,1-3H3;7-8H,9H2,1-6H3;4-5H,1-3H3;4-6H2,1-3H3;1-5H2;1H3;2*1H4;1H;/q;;;;;;;;;;+1/p-1
• InChIKey: DYBGOKNLJHZTNM-UHFFFAOYSA-M
• XLogP: 5.75
• TPSA: 390.16 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2045.19
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;acetyl chloride;4-[7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N-methylsulfonylacetamide;N,N-diethylethanamine;N-(5-difluoroboranyl-2-methoxy-3-pyridinyl)-N-methylsulfonylacetamide;methane;2-methoxy-3-(methylsulfonylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;oxane;fluoride?

The IUPAC name of potassium;acetyl chloride;4-[7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N-methylsulfonylacetamide;N,N-diethylethanamine;N-(5-difluoroboranyl-2-methoxy-3-pyridinyl)-N-methylsulfonylacetamide;methane;2-methoxy-3-(methylsulfonylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;oxane;fluoride (CID 159062204) is potassium;acetyl chloride;4-[7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N-methylsulfonylacetamide;N,N-diethylethanamine;N-(5-difluoroboranyl-2-methoxy-3-pyridinyl)-N-methylsulfonylacetamide;methane;2-methoxy-3-(methylsulfonylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;oxane;fluoride.

What is the SMILES notation for potassium;acetyl chloride;4-[7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N-methylsulfonylacetamide;N,N-diethylethanamine;N-(5-difluoroboranyl-2-methoxy-3-pyridinyl)-N-methylsulfonylacetamide;methane;2-methoxy-3-(methylsulfonylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;oxane;fluoride?

The canonical SMILES for potassium;acetyl chloride;4-[7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N-methylsulfonylacetamide;N,N-diethylethanamine;N-(5-difluoroboranyl-2-methoxy-3-pyridinyl)-N-methylsulfonylacetamide;methane;2-methoxy-3-(methylsulfonylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;oxane;fluoride is C.C.C1CCOCC1.CC(=O)Cl.CCN(CC)CC.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1N(C(C)=O)S(C)(=O)=O.COc1ncc(B(F)F)cc1N(C(C)=O)S(C)(=O)=O.COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1CS(C)(=O)=O.[F-].[K+].

What is the InChIKey of potassium;acetyl chloride;4-[7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N-methylsulfonylacetamide;N,N-diethylethanamine;N-(5-difluoroboranyl-2-methoxy-3-pyridinyl)-N-methylsulfonylacetamide;methane;2-methoxy-3-(methylsulfonylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;oxane;fluoride?

The InChIKey is DYBGOKNLJHZTNM-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22BrN5O5S2.C19H21BrN4O4S2.C14H22BNO5S.C9H11BF2N2O4S.C6H15N.C5H10O.C2H3ClO.2CH4.FH.K/c1-11-15(21)17-18(32-11)16(23-20(24-17)25-5-7-31-8-6-25)13-9-14(19(30-3)22-10-13)26(12(2)27)33(4,28)29;1-11-14(20)16-17(29-11)15(22-19(23-16)24-4-6-28-7-5-24)12-8-13(10-30(3,25)26)18(27-2)21-9-12;1-13(2)14(3,4)21-15(20-13)11-7-10(9-22(6,17)18)12(19-5)16-8-11;1-6(15)14(19(3,16)17)8-4-7(10(11)12)5-13-9(8)18-2;1-4-7(5-2)6-3;1-2-4-6-5-3-1;1-2(3)4;;;;/h9-10H,5-8H2,1-4H3;8-9H,4-7,10H2,1-3H3;7-8H,9H2,1-6H3;4-5H,1-3H3;4-6H2,1-3H3;1-5H2;1H3;2*1H4;1H;/q;;;;;;;;;;+1/p-1.

What are the key properties of potassium;acetyl chloride;4-[7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N-methylsulfonylacetamide;N,N-diethylethanamine;N-(5-difluoroboranyl-2-methoxy-3-pyridinyl)-N-methylsulfonylacetamide;methane;2-methoxy-3-(methylsulfonylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;oxane;fluoride?

potassium;acetyl chloride;4-[7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N-methylsulfonylacetamide;N,N-diethylethanamine;N-(5-difluoroboranyl-2-methoxy-3-pyridinyl)-N-methylsulfonylacetamide;methane;2-methoxy-3-(methylsulfonylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;oxane;fluoride has a molecular weight of 2045.19 g/mol, XLogP of 5.75, 21 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;acetyl chloride;4-[7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N-methylsulfonylacetamide;N,N-diethylethanamine;N-(5-difluoroboranyl-2-methoxy-3-pyridinyl)-N-methylsulfonylacetamide;methane;2-methoxy-3-(methylsulfonylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;oxane;fluoride is sourced from PubChem (CID 159062204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).