7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C126H111FN28O13S6 — CID 159966831

About 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 159966831) has the molecular formula C126H111FN28O13S6 and a molecular weight of 2436.86 g/mol. Its IUPAC name is 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 159966831
• Molecular Formula: C126H111FN28O13S6
• Molecular Weight: 2436.86 g/mol
• Exact Mass: 2434.72
• IUPAC Name: 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: CC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cn1.Cc1ccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c(CO)c1.Cc1ccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c(F)c1.Cn1nnc2ccc(-c3csc4c(=O)[nH]c(-c5ccccn5)nc34)cc21.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCOC(CN2CCCCC2)C1.O=c1[nH]c(-c2ccccn2)nc2c(-c3ccc4c(c3)CCO4)csc12
• InChI: InChI=1S/C24H23N5O3S.C23H20FN5O2S.C22H25N5O3S.C20H18N4O2S.C19H13N3O2S.C18H12N6OS/c1-15-5-6-19(16(12-15)13-30)28-8-10-29(11-9-28)24(32)17-14-33-21-20(17)26-22(27-23(21)31)18-4-2-3-7-25-18;1-14-5-6-18(16(24)12-14)28-8-10-29(11-9-28)23(31)15-13-32-20-19(15)26-21(27-22(20)30)17-4-2-3-7-25-17;28-21-19-18(24-20(25-21)17-6-2-3-7-23-17)16(14-31-19)22(29)27-10-11-30-15(13-27)12-26-8-4-1-5-9-26;1-12(2)10-26-16-7-6-13(9-22-16)14-11-27-18-17(14)23-19(24-20(18)25)15-5-3-4-8-21-15;23-19-17-16(21-18(22-19)14-3-1-2-7-20-14)13(10-25-17)11-4-5-15-12(9-11)6-8-24-15;1-24-14-8-10(5-6-12(14)22-23-24)11-9-26-16-15(11)20-17(21-18(16)25)13-4-2-3-7-19-13/h2-7,12,14,30H,8-11,13H2,1H3,(H,26,27,31);2-7,12-13H,8-11H2,1H3,(H,26,27,30);2-3,6-7,14-15H,1,4-5,8-13H2,(H,24,25,28);3-9,11-12H,10H2,1-2H3,(H,23,24,25);1-5,7,9-10H,6,8H2,(H,21,22,23);2-9H,1H3,(H,20,21,25)
• InChIKey: OEARSVNLFOCZQX-UHFFFAOYSA-N
• XLogP: 19.43
• TPSA: 514.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 20
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2436.86
LogP ≤ 5	19.43
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 159966831) is 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cn1.Cc1ccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c(CO)c1.Cc1ccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c(F)c1.Cn1nnc2ccc(-c3csc4c(=O)[nH]c(-c5ccccn5)nc34)cc21.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCOC(CN2CCCCC2)C1.O=c1[nH]c(-c2ccccn2)nc2c(-c3ccc4c(c3)CCO4)csc12.

What is the InChIKey of 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is OEARSVNLFOCZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S.C23H20FN5O2S.C22H25N5O3S.C20H18N4O2S.C19H13N3O2S.C18H12N6OS/c1-15-5-6-19(16(12-15)13-30)28-8-10-29(11-9-28)24(32)17-14-33-21-20(17)26-22(27-23(21)31)18-4-2-3-7-25-18;1-14-5-6-18(16(24)12-14)28-8-10-29(11-9-28)23(31)15-13-32-20-19(15)26-21(27-22(20)30)17-4-2-3-7-25-17;28-21-19-18(24-20(25-21)17-6-2-3-7-23-17)16(14-31-19)22(29)27-10-11-30-15(13-27)12-26-8-4-1-5-9-26;1-12(2)10-26-16-7-6-13(9-22-16)14-11-27-18-17(14)23-19(24-20(18)25)15-5-3-4-8-21-15;23-19-17-16(21-18(22-19)14-3-1-2-7-20-14)13(10-25-17)11-4-5-15-12(9-11)6-8-24-15;1-24-14-8-10(5-6-12(14)22-23-24)11-9-26-16-15(11)20-17(21-18(16)25)13-4-2-3-7-19-13/h2-7,12,14,30H,8-11,13H2,1H3,(H,26,27,31);2-7,12-13H,8-11H2,1H3,(H,26,27,30);2-3,6-7,14-15H,1,4-5,8-13H2,(H,24,25,28);3-9,11-12H,10H2,1-2H3,(H,23,24,25);1-5,7,9-10H,6,8H2,(H,21,22,23);2-9H,1H3,(H,20,21,25).

What are the key properties of 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 2436.86 g/mol, XLogP of 19.43, 20 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 159966831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).