1-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;1-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]propan-2-one;1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-one;morpholine;trifluoro-[[4-(2-hydroxypropan-2-yl)piperidin-1-ium-1-yl]methyl]boranuide

C96H118B2Br3Cl3F3N17O15S4 — CID 159809061

About 1-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;1-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]propan-2-one;1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-one;morpholine;trifluoro-[[4-(2-hydroxypropan-2-yl)piperidin-1-ium-1-yl]methyl]boranuide

1-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;1-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]propan-2-one;1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-one;morpholine;trifluoro-[[4-(2-hydroxypropan-2-yl)piperidin-1-ium-1-yl]methyl]boranuide (PubChem CID 159809061) has the molecular formula C96H118B2Br3Cl3F3N17O15S4 and a molecular weight of 2303.06 g/mol. Its IUPAC name is 1-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;1-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]propan-2-one;1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-one;morpholine;trifluoro-[[4-(2-hydroxypropan-2-yl)piperidin-1-ium-1-yl]methyl]boranuide.

Molecular Properties

• Compound Name: 1-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;1-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]propan-2-one;1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-one;morpholine;trifluoro-[[4-(2-hydroxypropan-2-yl)piperidin-1-ium-1-yl]methyl]boranuide
• PubChem CID: 159809061
• Molecular Formula: C96H118B2Br3Cl3F3N17O15S4
• Molecular Weight: 2303.06 g/mol
• Exact Mass: 2297.46
• IUPAC Name: 1-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;1-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]propan-2-one;1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-one;morpholine;trifluoro-[[4-(2-hydroxypropan-2-yl)piperidin-1-ium-1-yl]methyl]boranuide
• SMILES: C1COCCN1.CC(C)(O)C1CC[NH+](C[B-](F)(F)F)CC1.COc1ncc(-c2nc(Cl)nc3c(Br)csc23)cc1CC(C)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1CC(C)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)O)CC4)csc23)cc1CC(C)=O.COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1CC(C)=O.Clc1nc(Cl)c2scc(Br)c2n1
• InChI: InChI=1S/C28H37N5O4S.C19H19BrN4O3S.C15H22BNO4.C15H11BrClN3O2S.C9H18BF3NO.C6HBrCl2N2S.C4H9NO/c1-18(34)13-19-14-20(15-29-26(19)36-4)23-25-24(31-27(30-23)33-9-11-37-12-10-33)21(17-38-25)16-32-7-5-22(6-8-32)28(2,3)35;1-11(25)7-12-8-13(9-21-18(12)26-2)15-17-16(14(20)10-28-17)23-19(22-15)24-3-5-27-6-4-24;1-10(18)7-11-8-12(9-17-13(11)19-6)16-20-14(2,3)15(4,5)21-16;1-7(21)3-8-4-9(5-18-14(8)22-2)11-13-12(10(16)6-23-13)20-15(17)19-11;1-9(2,15)8-3-5-14(6-4-8)7-10(11,12)13;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1/h14-15,17,22,35H,5-13,16H2,1-4H3;8-10H,3-7H2,1-2H3;8-9H,7H2,1-6H3;4-6H,3H2,1-2H3;8,15H,3-7H2,1-2H3;1H;5H,1-4H2/q;;;;-1;;/p+1
• InChIKey: NKTZSSREHCCYRZ-UHFFFAOYSA-O
• XLogP: 16.84
• TPSA: 372.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2303.06
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;1-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]propan-2-one;1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-one;morpholine;trifluoro-[[4-(2-hydroxypropan-2-yl)piperidin-1-ium-1-yl]methyl]boranuide?

The IUPAC name of 1-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;1-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]propan-2-one;1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-one;morpholine;trifluoro-[[4-(2-hydroxypropan-2-yl)piperidin-1-ium-1-yl]methyl]boranuide (CID 159809061) is 1-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;1-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]propan-2-one;1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-one;morpholine;trifluoro-[[4-(2-hydroxypropan-2-yl)piperidin-1-ium-1-yl]methyl]boranuide.

What is the SMILES notation for 1-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;1-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]propan-2-one;1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-one;morpholine;trifluoro-[[4-(2-hydroxypropan-2-yl)piperidin-1-ium-1-yl]methyl]boranuide?

The canonical SMILES for 1-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;1-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]propan-2-one;1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-one;morpholine;trifluoro-[[4-(2-hydroxypropan-2-yl)piperidin-1-ium-1-yl]methyl]boranuide is C1COCCN1.CC(C)(O)C1CC[NH+](C[B-](F)(F)F)CC1.COc1ncc(-c2nc(Cl)nc3c(Br)csc23)cc1CC(C)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1CC(C)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)O)CC4)csc23)cc1CC(C)=O.COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1CC(C)=O.Clc1nc(Cl)c2scc(Br)c2n1.

What is the InChIKey of 1-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;1-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]propan-2-one;1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-one;morpholine;trifluoro-[[4-(2-hydroxypropan-2-yl)piperidin-1-ium-1-yl]methyl]boranuide?

The InChIKey is NKTZSSREHCCYRZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H37N5O4S.C19H19BrN4O3S.C15H22BNO4.C15H11BrClN3O2S.C9H18BF3NO.C6HBrCl2N2S.C4H9NO/c1-18(34)13-19-14-20(15-29-26(19)36-4)23-25-24(31-27(30-23)33-9-11-37-12-10-33)21(17-38-25)16-32-7-5-22(6-8-32)28(2,3)35;1-11(25)7-12-8-13(9-21-18(12)26-2)15-17-16(14(20)10-28-17)23-19(22-15)24-3-5-27-6-4-24;1-10(18)7-11-8-12(9-17-13(11)19-6)16-20-14(2,3)15(4,5)21-16;1-7(21)3-8-4-9(5-18-14(8)22-2)11-13-12(10(16)6-23-13)20-15(17)19-11;1-9(2,15)8-3-5-14(6-4-8)7-10(11,12)13;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1/h14-15,17,22,35H,5-13,16H2,1-4H3;8-10H,3-7H2,1-2H3;8-9H,7H2,1-6H3;4-6H,3H2,1-2H3;8,15H,3-7H2,1-2H3;1H;5H,1-4H2/q;;;;-1;;/p+1.

What are the key properties of 1-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;1-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]propan-2-one;1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-one;morpholine;trifluoro-[[4-(2-hydroxypropan-2-yl)piperidin-1-ium-1-yl]methyl]boranuide?

1-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;1-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]propan-2-one;1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-one;morpholine;trifluoro-[[4-(2-hydroxypropan-2-yl)piperidin-1-ium-1-yl]methyl]boranuide has a molecular weight of 2303.06 g/mol, XLogP of 16.84, 24 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]propan-2-one;1-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]propan-2-one;1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-one;morpholine;trifluoro-[[4-(2-hydroxypropan-2-yl)piperidin-1-ium-1-yl]methyl]boranuide is sourced from PubChem (CID 159809061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).