7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-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-(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

C123H108FN27O12S6 — CID 160626769

About 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-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-(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-[3-[2-(dimethylamino)ethoxy]phenyl]-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-(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 160626769) has the molecular formula C123H108FN27O12S6 and a molecular weight of 2367.79 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-[3-[2-(dimethylamino)ethoxy]phenyl]-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-(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-[3-[2-(dimethylamino)ethoxy]phenyl]-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-(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: 160626769
• Molecular Formula: C123H108FN27O12S6
• Molecular Weight: 2367.79 g/mol
• Exact Mass: 2365.70
• IUPAC Name: 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-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-(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.CN(C)CCOc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)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/C23H20FN5O2S.C22H25N5O3S.C21H20N4O2S.C20H18N4O2S.C19H13N3O2S.C18H12N6OS/c1-14-5-6-18(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;1-25(2)10-11-27-15-7-5-6-14(12-15)16-13-28-19-18(16)23-20(24-21(19)26)17-8-3-4-9-22-17;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/h2-7,12-13H,8-11H2,1H3,(H,26,27,30);2-3,6-7,14-15H,1,4-5,8-13H2,(H,24,25,28);3-9,12-13H,10-11H2,1-2H3,(H,23,24,26);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: RHKCOTINRZWYRA-UHFFFAOYSA-N
• XLogP: 20.27
• TPSA: 482.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2367.79
LogP ≤ 5	20.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

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-[3-[2-(dimethylamino)ethoxy]phenyl]-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-(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-[3-[2-(dimethylamino)ethoxy]phenyl]-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-(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 160626769) is 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-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-(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-[3-[2-(dimethylamino)ethoxy]phenyl]-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-(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-[3-[2-(dimethylamino)ethoxy]phenyl]-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-(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.CN(C)CCOc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)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-[3-[2-(dimethylamino)ethoxy]phenyl]-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-(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 RHKCOTINRZWYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2S.C22H25N5O3S.C21H20N4O2S.C20H18N4O2S.C19H13N3O2S.C18H12N6OS/c1-14-5-6-18(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;1-25(2)10-11-27-15-7-5-6-14(12-15)16-13-28-19-18(16)23-20(24-21(19)26)17-8-3-4-9-22-17;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/h2-7,12-13H,8-11H2,1H3,(H,26,27,30);2-3,6-7,14-15H,1,4-5,8-13H2,(H,24,25,28);3-9,12-13H,10-11H2,1-2H3,(H,23,24,26);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-[3-[2-(dimethylamino)ethoxy]phenyl]-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-(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-[3-[2-(dimethylamino)ethoxy]phenyl]-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-(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 2367.79 g/mol, XLogP of 20.27, 22 rotatable bonds, 6 hydrogen bond donors, and 37 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-[3-[2-(dimethylamino)ethoxy]phenyl]-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-(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 160626769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).