7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)benzonitrile;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one

C96H79N21O6S5 — CID 159344984

About 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)benzonitrile;2-pyridin-2-yl-7-pyridin-3-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-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)benzonitrile;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 159344984) has the molecular formula C96H79N21O6S5 and a molecular weight of 1783.16 g/mol. Its IUPAC name is 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)benzonitrile;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)benzonitrile;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 159344984
• Molecular Formula: C96H79N21O6S5
• Molecular Weight: 1783.16 g/mol
• Exact Mass: 1781.51
• IUPAC Name: 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)benzonitrile;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: CC(C)c1nn(C)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.CN(C)CCOc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.Cc1ccc(CN2CCCC2)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.N#Cc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.O=c1[nH]c(-c2ccccn2)nc2c(-c3cccnc3)csc12
• InChI: InChI=1S/C23H22N4OS.C21H20N4O2S.C18H17N5OS.C18H10N4OS.C16H10N4OS/c1-15-7-8-16(13-27-10-4-5-11-27)12-17(15)18-14-29-21-20(18)25-22(26-23(21)28)19-6-2-3-9-24-19;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;1-10(2)14-11(8-23(3)22-14)12-9-25-16-15(12)20-17(21-18(16)24)13-6-4-5-7-19-13;19-9-11-4-3-5-12(8-11)13-10-24-16-15(13)21-17(22-18(16)23)14-6-1-2-7-20-14;21-16-14-13(11(9-22-14)10-4-3-6-17-8-10)19-15(20-16)12-5-1-2-7-18-12/h2-3,6-9,12,14H,4-5,10-11,13H2,1H3,(H,25,26,28);3-9,12-13H,10-11H2,1-2H3,(H,23,24,26);4-10H,1-3H3,(H,20,21,24);1-8,10H,(H,21,22,23);1-9H,(H,19,20,21)
• InChIKey: LGPLNEZMXIYZCB-UHFFFAOYSA-N
• XLogP: 18.54
• TPSA: 363.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1783.16
LogP ≤ 5	18.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)benzonitrile;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)benzonitrile;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 159344984) is 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)benzonitrile;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)benzonitrile;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)benzonitrile;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)c1nn(C)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.CN(C)CCOc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.Cc1ccc(CN2CCCC2)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.N#Cc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.O=c1[nH]c(-c2ccccn2)nc2c(-c3cccnc3)csc12.

What is the InChIKey of 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)benzonitrile;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is LGPLNEZMXIYZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS.C21H20N4O2S.C18H17N5OS.C18H10N4OS.C16H10N4OS/c1-15-7-8-16(13-27-10-4-5-11-27)12-17(15)18-14-29-21-20(18)25-22(26-23(21)28)19-6-2-3-9-24-19;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;1-10(2)14-11(8-23(3)22-14)12-9-25-16-15(12)20-17(21-18(16)24)13-6-4-5-7-19-13;19-9-11-4-3-5-12(8-11)13-10-24-16-15(13)21-17(22-18(16)23)14-6-1-2-7-20-14;21-16-14-13(11(9-22-14)10-4-3-6-17-8-10)19-15(20-16)12-5-1-2-7-18-12/h2-3,6-9,12,14H,4-5,10-11,13H2,1H3,(H,25,26,28);3-9,12-13H,10-11H2,1-2H3,(H,23,24,26);4-10H,1-3H3,(H,20,21,24);1-8,10H,(H,21,22,23);1-9H,(H,19,20,21).

What are the key properties of 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)benzonitrile;2-pyridin-2-yl-7-pyridin-3-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-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)benzonitrile;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1783.16 g/mol, XLogP of 18.54, 17 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)benzonitrile;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 159344984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).