7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one

C125H111FN28O9S6 — CID 160999335

About 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 160999335) has the molecular formula C125H111FN28O9S6 and a molecular weight of 2360.85 g/mol. Its IUPAC name is 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 160999335
• Molecular Formula: C125H111FN28O9S6
• Molecular Weight: 2360.85 g/mol
• Exact Mass: 2358.74
• IUPAC Name: 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: CC(F)c1cncc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.Cc1cccc(CN2CCN(C(=O)c3c(C)sc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c1.Cc1nn(C(C)C)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1-c1ccncc1.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1C(=O)N1CCN(c2ccccc2)CC1.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1C(=O)N1CCN(c2ccccc2)CC1C
• InChI: InChI=1S/C25H25N5O2S.C24H23N5O2S.C23H21N5O2S.C18H13FN4OS.C18H17N5OS.C17H12N4OS/c1-16-6-5-7-18(14-16)15-29-10-12-30(13-11-29)25(32)20-17(2)33-22-21(20)27-23(28-24(22)31)19-8-3-4-9-26-19;1-15-14-28(17-8-4-3-5-9-17)12-13-29(15)24(31)19-16(2)32-21-20(19)26-22(27-23(21)30)18-10-6-7-11-25-18;1-15-18(23(30)28-13-11-27(12-14-28)16-7-3-2-4-8-16)19-20(31-15)22(29)26-21(25-19)17-9-5-6-10-24-17;1-10(19)11-6-12(8-20-7-11)13-9-25-16-15(13)22-17(23-18(16)24)14-4-2-3-5-21-14;1-10(2)23-8-12(11(3)22-23)13-9-25-16-15(13)20-17(21-18(16)24)14-6-4-5-7-19-14;1-10-13(11-5-8-18-9-6-11)14-15(23-10)17(22)21-16(20-14)12-4-2-3-7-19-12/h3-9,14H,10-13,15H2,1-2H3,(H,27,28,31);3-11,15H,12-14H2,1-2H3,(H,26,27,30);2-10H,11-14H2,1H3,(H,25,26,29);2-10H,1H3,(H,22,23,24);4-10H,1-3H3,(H,20,21,24);2-9H,1H3,(H,20,21,22)
• InChIKey: TVQRYXTVDFFJJY-UHFFFAOYSA-N
• XLogP: 22.00
• TPSA: 466.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2360.85
LogP ≤ 5	22.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 160999335) is 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC(F)c1cncc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.Cc1cccc(CN2CCN(C(=O)c3c(C)sc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c1.Cc1nn(C(C)C)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1-c1ccncc1.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1C(=O)N1CCN(c2ccccc2)CC1.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1C(=O)N1CCN(c2ccccc2)CC1C.

What is the InChIKey of 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is TVQRYXTVDFFJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S.C24H23N5O2S.C23H21N5O2S.C18H13FN4OS.C18H17N5OS.C17H12N4OS/c1-16-6-5-7-18(14-16)15-29-10-12-30(13-11-29)25(32)20-17(2)33-22-21(20)27-23(28-24(22)31)19-8-3-4-9-26-19;1-15-14-28(17-8-4-3-5-9-17)12-13-29(15)24(31)19-16(2)32-21-20(19)26-22(27-23(21)30)18-10-6-7-11-25-18;1-15-18(23(30)28-13-11-27(12-14-28)16-7-3-2-4-8-16)19-20(31-15)22(29)26-21(25-19)17-9-5-6-10-24-17;1-10(19)11-6-12(8-20-7-11)13-9-25-16-15(13)22-17(23-18(16)24)14-4-2-3-5-21-14;1-10(2)23-8-12(11(3)22-23)13-9-25-16-15(13)20-17(21-18(16)24)14-6-4-5-7-19-14;1-10-13(11-5-8-18-9-6-11)14-15(23-10)17(22)21-16(20-14)12-4-2-3-7-19-12/h3-9,14H,10-13,15H2,1-2H3,(H,27,28,31);3-11,15H,12-14H2,1-2H3,(H,26,27,30);2-10H,11-14H2,1H3,(H,25,26,29);2-10H,1H3,(H,22,23,24);4-10H,1-3H3,(H,20,21,24);2-9H,1H3,(H,20,21,22).

What are the key properties of 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?

7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 2360.85 g/mol, XLogP of 22.00, 18 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 160999335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).