7-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C96H85ClN22O8S5 — CID 160704086

About 7-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 160704086) has the molecular formula C96H85ClN22O8S5 and a molecular weight of 1870.67 g/mol. Its IUPAC name is 7-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 160704086
• Molecular Formula: C96H85ClN22O8S5
• Molecular Weight: 1870.67 g/mol
• Exact Mass: 1868.52
• IUPAC Name: 7-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: COCc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1C.Cc1cc2nc(-c3ccccn3)[nH]c(=O)c2s1.Cc1ccc(CN(C)C)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1ccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)cc1Cl.Cn1cc(C2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCN2)cn1
• InChI: InChI=1S/C23H20ClN5O2S.C21H20N4OS.C20H19N7O2S.C20H17N3O2S.C12H9N3OS/c1-14-5-6-15(12-17(14)24)28-8-10-29(11-9-28)23(31)16-13-32-20-19(16)26-21(27-22(20)30)18-4-2-3-7-25-18;1-13-7-8-14(11-25(2)3)10-15(13)16-12-27-19-18(16)23-20(24-21(19)26)17-6-4-5-9-22-17;1-26-9-12(8-23-26)15-10-27(7-6-22-15)20(29)13-11-30-17-16(13)24-18(25-19(17)28)14-4-2-3-5-21-14;1-12-9-13(6-7-14(12)10-25-2)15-11-26-18-17(15)22-19(23-20(18)24)16-5-3-4-8-21-16;1-7-6-9-10(17-7)12(16)15-11(14-9)8-4-2-3-5-13-8/h2-7,12-13H,8-11H2,1H3,(H,26,27,30);4-10,12H,11H2,1-3H3,(H,23,24,26);2-5,8-9,11,15,22H,6-7,10H2,1H3,(H,24,25,28);3-9,11H,10H2,1-2H3,(H,22,23,24);2-6H,1H3,(H,14,15,16)
• InChIKey: RQZMMHSLYXUZCX-UHFFFAOYSA-N
• XLogP: 16.14
• TPSA: 379.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1870.67
LogP ≤ 5	16.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 160704086) is 7-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is COCc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1C.Cc1cc2nc(-c3ccccn3)[nH]c(=O)c2s1.Cc1ccc(CN(C)C)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1ccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)cc1Cl.Cn1cc(C2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCN2)cn1.

What is the InChIKey of 7-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is RQZMMHSLYXUZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2S.C21H20N4OS.C20H19N7O2S.C20H17N3O2S.C12H9N3OS/c1-14-5-6-15(12-17(14)24)28-8-10-29(11-9-28)23(31)16-13-32-20-19(16)26-21(27-22(20)30)18-4-2-3-7-25-18;1-13-7-8-14(11-25(2)3)10-15(13)16-12-27-19-18(16)23-20(24-21(19)26)17-6-4-5-9-22-17;1-26-9-12(8-23-26)15-10-27(7-6-22-15)20(29)13-11-30-17-16(13)24-18(25-19(17)28)14-4-2-3-5-21-14;1-12-9-13(6-7-14(12)10-25-2)15-11-26-18-17(15)22-19(23-20(18)24)16-5-3-4-8-21-16;1-7-6-9-10(17-7)12(16)15-11(14-9)8-4-2-3-5-13-8/h2-7,12-13H,8-11H2,1H3,(H,26,27,30);4-10,12H,11H2,1-3H3,(H,23,24,26);2-5,8-9,11,15,22H,6-7,10H2,1H3,(H,24,25,28);3-9,11H,10H2,1-2H3,(H,22,23,24);2-6H,1H3,(H,14,15,16).

What are the key properties of 7-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

7-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1870.67 g/mol, XLogP of 16.14, 15 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 160704086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).