7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one

C104H86N20O11S5 — CID 159231819

About 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one

7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 159231819) has the molecular formula C104H86N20O11S5 and a molecular weight of 1952.30 g/mol. Its IUPAC name is 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 159231819
• Molecular Formula: C104H86N20O11S5
• Molecular Weight: 1952.30 g/mol
• Exact Mass: 1950.54
• IUPAC Name: 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: CN(CCc1ccncc1)C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12.COc1cc2c(cc1OC)CCN(C(=O)c1csc3c(=O)[nH]c(-c4ccccn4)nc13)CC2.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.O=C(NCCc1ccccc1)c1csc2c(=O)[nH]c(-c3ccccn3)nc12.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCc2ccccc2CC1
• InChI: InChI=1S/C24H22N4O4S.C22H18N4O2S.C20H17N5O2S.C20H16N4O2S.C18H13N3OS/c1-31-18-11-14-6-9-28(10-7-15(14)12-19(18)32-2)24(30)16-13-33-21-20(16)26-22(27-23(21)29)17-5-3-4-8-25-17;27-21-19-18(24-20(25-21)17-7-3-4-10-23-17)16(13-29-19)22(28)26-11-8-14-5-1-2-6-15(14)9-12-26;1-25(11-7-13-5-9-21-10-6-13)20(27)14-12-28-17-16(14)23-18(24-19(17)26)15-4-2-3-8-22-15;25-19(22-11-9-13-6-2-1-3-7-13)14-12-27-17-16(14)23-18(24-20(17)26)15-8-4-5-10-21-15;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/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,26,27,29);1-7,10,13H,8-9,11-12H2,(H,24,25,27);2-6,8-10,12H,7,11H2,1H3,(H,23,24,26);1-8,10,12H,9,11H2,(H,22,25)(H,23,24,26);2-10H,1H3,(H,20,21,22)
• InChIKey: KSZSAUKYORKXGO-UHFFFAOYSA-N
• XLogP: 16.39
• TPSA: 414.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1952.30
LogP ≤ 5	16.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 159231819) is 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one is CN(CCc1ccncc1)C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12.COc1cc2c(cc1OC)CCN(C(=O)c1csc3c(=O)[nH]c(-c4ccccn4)nc13)CC2.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.O=C(NCCc1ccccc1)c1csc2c(=O)[nH]c(-c3ccccn3)nc12.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCc2ccccc2CC1.

What is the InChIKey of 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is KSZSAUKYORKXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S.C22H18N4O2S.C20H17N5O2S.C20H16N4O2S.C18H13N3OS/c1-31-18-11-14-6-9-28(10-7-15(14)12-19(18)32-2)24(30)16-13-33-21-20(16)26-22(27-23(21)29)17-5-3-4-8-25-17;27-21-19-18(24-20(25-21)17-7-3-4-10-23-17)16(13-29-19)22(28)26-11-8-14-5-1-2-6-15(14)9-12-26;1-25(11-7-13-5-9-21-10-6-13)20(27)14-12-28-17-16(14)23-18(24-19(17)26)15-4-2-3-8-22-15;25-19(22-11-9-13-6-2-1-3-7-13)14-12-27-17-16(14)23-18(24-20(17)26)15-8-4-5-10-21-15;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/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,26,27,29);1-7,10,13H,8-9,11-12H2,(H,24,25,27);2-6,8-10,12H,7,11H2,1H3,(H,23,24,26);1-8,10,12H,9,11H2,(H,22,25)(H,23,24,26);2-10H,1H3,(H,20,21,22).

What are the key properties of 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?

7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1952.30 g/mol, XLogP of 16.39, 18 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 159231819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).