7-(2-ethyl-5-methylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one

C123H106N26O12S8 — CID 158992582

About 7-(2-ethyl-5-methylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one

7-(2-ethyl-5-methylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 158992582) has the molecular formula C123H106N26O12S8 and a molecular weight of 2396.91 g/mol. Its IUPAC name is 7-(2-ethyl-5-methylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(2-ethyl-5-methylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 158992582
• Molecular Formula: C123H106N26O12S8
• Molecular Weight: 2396.91 g/mol
• Exact Mass: 2394.62
• IUPAC Name: 7-(2-ethyl-5-methylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: C=S1(=O)CCN(Cc2cccc(-c3csc4c(=O)[nH]c(-c5ccccn5)nc34)c2)CC1.CCn1nc(C)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1ccccc1C1CN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CCN1.Cc1ccccc1C1CN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CCO1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCOC(c2nccs2)C1
• InChI: InChI=1S/C23H21N5O2S.C23H20N4O3S.C23H22N4O2S2.C19H15N5O3S2.C18H13N3OS.C17H15N5OS/c1-14-6-2-3-7-15(14)18-12-28(11-10-25-18)23(30)16-13-31-20-19(16)26-21(27-22(20)29)17-8-4-5-9-24-17;1-14-6-2-3-7-15(14)18-12-27(10-11-30-18)23(29)16-13-31-20-19(16)25-21(26-22(20)28)17-8-4-5-9-24-17;1-31(29)11-9-27(10-12-31)14-16-5-4-6-17(13-16)18-15-30-21-20(18)25-22(26-23(21)28)19-7-2-3-8-24-19;25-17-15-14(22-16(23-17)12-3-1-2-4-20-12)11(10-29-15)19(26)24-6-7-27-13(9-24)18-21-5-8-28-18;1-11-6-2-3-7-12(11)13-10-23-16-15(13)20-17(21-18(16)22)14-8-4-5-9-19-14;1-3-22-13(8-10(2)21-22)11-9-24-15-14(11)19-16(20-17(15)23)12-6-4-5-7-18-12/h2-9,13,18,25H,10-12H2,1H3,(H,26,27,29);2-9,13,18H,10-12H2,1H3,(H,25,26,28);2-8,13,15H,1,9-12,14H2,(H,25,26,28);1-5,8,10,13H,6-7,9H2,(H,22,23,25);2-10H,1H3,(H,20,21,22);4-9H,3H2,1-2H3,(H,19,20,23)
• InChIKey: JQIPYHOQBDAUJR-UHFFFAOYSA-N
• XLogP: 19.93
• TPSA: 494.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 18
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2396.91
LogP ≤ 5	19.93
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethyl-5-methylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-(2-ethyl-5-methylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 158992582) is 7-(2-ethyl-5-methylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-(2-ethyl-5-methylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-(2-ethyl-5-methylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one is C=S1(=O)CCN(Cc2cccc(-c3csc4c(=O)[nH]c(-c5ccccn5)nc34)c2)CC1.CCn1nc(C)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1ccccc1C1CN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CCN1.Cc1ccccc1C1CN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CCO1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCOC(c2nccs2)C1.

What is the InChIKey of 7-(2-ethyl-5-methylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is JQIPYHOQBDAUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S.C23H20N4O3S.C23H22N4O2S2.C19H15N5O3S2.C18H13N3OS.C17H15N5OS/c1-14-6-2-3-7-15(14)18-12-28(11-10-25-18)23(30)16-13-31-20-19(16)26-21(27-22(20)29)17-8-4-5-9-24-17;1-14-6-2-3-7-15(14)18-12-27(10-11-30-18)23(29)16-13-31-20-19(16)25-21(26-22(20)28)17-8-4-5-9-24-17;1-31(29)11-9-27(10-12-31)14-16-5-4-6-17(13-16)18-15-30-21-20(18)25-22(26-23(21)28)19-7-2-3-8-24-19;25-17-15-14(22-16(23-17)12-3-1-2-4-20-12)11(10-29-15)19(26)24-6-7-27-13(9-24)18-21-5-8-28-18;1-11-6-2-3-7-12(11)13-10-23-16-15(13)20-17(21-18(16)22)14-8-4-5-9-19-14;1-3-22-13(8-10(2)21-22)11-9-24-15-14(11)19-16(20-17(15)23)12-6-4-5-7-18-12/h2-9,13,18,25H,10-12H2,1H3,(H,26,27,29);2-9,13,18H,10-12H2,1H3,(H,25,26,28);2-8,13,15H,1,9-12,14H2,(H,25,26,28);1-5,8,10,13H,6-7,9H2,(H,22,23,25);2-10H,1H3,(H,20,21,22);4-9H,3H2,1-2H3,(H,19,20,23).

What are the key properties of 7-(2-ethyl-5-methylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one?

7-(2-ethyl-5-methylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 2396.91 g/mol, XLogP of 19.93, 18 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-ethyl-5-methylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 158992582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).