7-(2-benzyloxane-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-cyclopentyloxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C110H94N18O11S5 — CID 158800567

About 7-(2-benzyloxane-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-cyclopentyloxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-(2-benzyloxane-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-cyclopentyloxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 158800567) has the molecular formula C110H94N18O11S5 and a molecular weight of 2004.41 g/mol. Its IUPAC name is 7-(2-benzyloxane-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-cyclopentyloxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(2-benzyloxane-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-cyclopentyloxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 158800567
• Molecular Formula: C110H94N18O11S5
• Molecular Weight: 2004.41 g/mol
• Exact Mass: 2002.60
• IUPAC Name: 7-(2-benzyloxane-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-cyclopentyloxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: Cc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(C)c1.Cc1ccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)cc1O.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)C1CCOC(Cc2ccccc2)C1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCC(c2ccccc2)C1.O=c1[nH]c(-c2ccccn2)nc2c(-c3ccc(OC4CCCC4)cc3)csc12
• InChI: InChI=1S/C24H21N3O3S.C23H21N5O3S.C22H18N4O2S.C22H19N3O2S.C19H15N3OS/c28-21(16-9-11-30-17(13-16)12-15-6-2-1-3-7-15)18-14-31-22-20(18)26-23(27-24(22)29)19-8-4-5-10-25-19;1-14-5-6-15(12-18(14)29)27-8-10-28(11-9-27)23(31)16-13-32-20-19(16)25-21(26-22(20)30)17-4-2-3-7-24-17;27-21-19-18(24-20(25-21)17-8-4-5-10-23-17)16(13-29-19)22(28)26-11-9-15(12-26)14-6-2-1-3-7-14;26-22-20-19(24-21(25-22)18-7-3-4-12-23-18)17(13-28-20)14-8-10-16(11-9-14)27-15-5-1-2-6-15;1-11-6-7-13(12(2)9-11)14-10-24-17-16(14)21-18(22-19(17)23)15-5-3-4-8-20-15/h1-8,10,14,16-17H,9,11-13H2,(H,26,27,29);2-7,12-13,29H,8-11H2,1H3,(H,25,26,30);1-8,10,13,15H,9,11-12H2,(H,24,25,27);3-4,7-13,15H,1-2,5-6H2,(H,24,25,26);3-10H,1-2H3,(H,21,22,23)
• InChIKey: ITKVIIUCUSWEQZ-UHFFFAOYSA-N
• XLogP: 20.33
• TPSA: 392.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2004.41
LogP ≤ 5	20.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 7-(2-benzyloxane-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-cyclopentyloxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-(2-benzyloxane-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-cyclopentyloxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 158800567) is 7-(2-benzyloxane-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-cyclopentyloxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-(2-benzyloxane-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-cyclopentyloxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-(2-benzyloxane-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-cyclopentyloxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is Cc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(C)c1.Cc1ccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)cc1O.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)C1CCOC(Cc2ccccc2)C1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCC(c2ccccc2)C1.O=c1[nH]c(-c2ccccn2)nc2c(-c3ccc(OC4CCCC4)cc3)csc12.

What is the InChIKey of 7-(2-benzyloxane-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-cyclopentyloxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is ITKVIIUCUSWEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S.C23H21N5O3S.C22H18N4O2S.C22H19N3O2S.C19H15N3OS/c28-21(16-9-11-30-17(13-16)12-15-6-2-1-3-7-15)18-14-31-22-20(18)26-23(27-24(22)29)19-8-4-5-10-25-19;1-14-5-6-15(12-18(14)29)27-8-10-28(11-9-27)23(31)16-13-32-20-19(16)25-21(26-22(20)30)17-4-2-3-7-24-17;27-21-19-18(24-20(25-21)17-8-4-5-10-23-17)16(13-29-19)22(28)26-11-9-15(12-26)14-6-2-1-3-7-14;26-22-20-19(24-21(25-22)18-7-3-4-12-23-18)17(13-28-20)14-8-10-16(11-9-14)27-15-5-1-2-6-15;1-11-6-7-13(12(2)9-11)14-10-24-17-16(14)21-18(22-19(17)23)15-5-3-4-8-20-15/h1-8,10,14,16-17H,9,11-13H2,(H,26,27,29);2-7,12-13,29H,8-11H2,1H3,(H,25,26,30);1-8,10,13,15H,9,11-12H2,(H,24,25,27);3-4,7-13,15H,1-2,5-6H2,(H,24,25,26);3-10H,1-2H3,(H,21,22,23).

What are the key properties of 7-(2-benzyloxane-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-cyclopentyloxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

7-(2-benzyloxane-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-cyclopentyloxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 2004.41 g/mol, XLogP of 20.33, 17 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-benzyloxane-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-cyclopentyloxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 158800567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).