7-(4-tert-butyl-2-fluorophenyl)-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

C105H86F2N22O9S5 — CID 159908989

About 7-(4-tert-butyl-2-fluorophenyl)-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-(4-tert-butyl-2-fluorophenyl)-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 (PubChem CID 159908989) has the molecular formula C105H86F2N22O9S5 and a molecular weight of 1998.32 g/mol. Its IUPAC name is 7-(4-tert-butyl-2-fluorophenyl)-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.

Molecular Properties

• Compound Name: 7-(4-tert-butyl-2-fluorophenyl)-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
• PubChem CID: 159908989
• Molecular Formula: C105H86F2N22O9S5
• Molecular Weight: 1998.32 g/mol
• Exact Mass: 1996.55
• IUPAC Name: 7-(4-tert-butyl-2-fluorophenyl)-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
• SMILES: CC(C)(C)c1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(F)c1.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=c1[nH]c(-c2ccccn2)nc2c(-c3ccc4c(c3)CCO4)csc12
• InChI: InChI=1S/C24H23N5O3S.C23H20FN5O2S.C21H18FN3OS.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;1-21(2,3)12-7-8-13(15(22)10-12)14-11-27-18-17(14)24-19(25-20(18)26)16-6-4-5-9-23-16;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);4-11H,1-3H3,(H,24,25,26);1-5,7,9-10H,6,8H2,(H,21,22,23);2-9H,1H3,(H,20,21,25)
• InChIKey: NWXZTCHAQQMHSN-UHFFFAOYSA-N
• XLogP: 18.06
• TPSA: 400.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 13
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1998.32
LogP ≤ 5	18.06
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butyl-2-fluorophenyl)-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?

The IUPAC name of 7-(4-tert-butyl-2-fluorophenyl)-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 (CID 159908989) is 7-(4-tert-butyl-2-fluorophenyl)-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.

What is the SMILES notation for 7-(4-tert-butyl-2-fluorophenyl)-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?

The canonical SMILES for 7-(4-tert-butyl-2-fluorophenyl)-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 is CC(C)(C)c1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(F)c1.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=c1[nH]c(-c2ccccn2)nc2c(-c3ccc4c(c3)CCO4)csc12.

What is the InChIKey of 7-(4-tert-butyl-2-fluorophenyl)-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?

The InChIKey is NWXZTCHAQQMHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S.C23H20FN5O2S.C21H18FN3OS.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;1-21(2,3)12-7-8-13(15(22)10-12)14-11-27-18-17(14)24-19(25-20(18)26)16-6-4-5-9-23-16;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);4-11H,1-3H3,(H,24,25,26);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-(4-tert-butyl-2-fluorophenyl)-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-(4-tert-butyl-2-fluorophenyl)-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 has a molecular weight of 1998.32 g/mol, XLogP of 18.06, 13 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-tert-butyl-2-fluorophenyl)-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 is sourced from PubChem (CID 159908989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).