7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one

C₁₃₉H₁₃₃N₃₃O₁₇S₇ — CID 159629119

About 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one

7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 159629119) has the molecular formula C₁₃₉H₁₃₃N₃₃O₁₇S₇ and a molecular weight of 2762.28 g/mol. Its IUPAC name is 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 159629119
• Molecular Formula: C₁₃₉H₁₃₃N₃₃O₁₇S₇
• Molecular Weight: 2762.28 g/mol
• Exact Mass: 2759.86
• IUPAC Name: 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: CC(=O)NC1CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1.CC1(N)CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1.CC1(O)CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1.CCCOCCN(C)C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCC(c2cccnc2)CC1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCN(c2ccccc2)CC1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCN(c2ccccc2)CC1
• InChI: InChI=1S/3C22H19N5O2S.C19H19N5O3S.C18H19N5O2S.C18H18N4O3S.C18H20N4O3S/c28-21-19-18(25-20(26-21)17-5-1-2-9-24-17)16(13-30-19)22(29)27-10-6-14(7-11-27)15-4-3-8-23-12-15;2*28-21-19-18(24-20(25-21)17-8-4-5-9-23-17)16(14-30-19)22(29)27-12-10-26(11-13-27)15-6-2-1-3-7-15;1-11(25)21-12-5-8-24(9-6-12)19(27)13-10-28-16-15(13)22-17(23-18(16)26)14-4-2-3-7-20-14;1-18(19)5-8-23(9-6-18)17(25)11-10-26-14-13(11)21-15(22-16(14)24)12-4-2-3-7-20-12;1-18(25)5-8-22(9-6-18)17(24)11-10-26-14-13(11)20-15(21-16(14)23)12-4-2-3-7-19-12;1-3-9-25-10-8-22(2)18(24)12-11-26-15-14(12)20-16(21-17(15)23)13-6-4-5-7-19-13/h1-5,8-9,12-14H,6-7,10-11H2,(H,25,26,28);2*1-9,14H,10-13H2,(H,24,25,28);2-4,7,10,12H,5-6,8-9H2,1H3,(H,21,25)(H,22,23,26);2-4,7,10H,5-6,8-9,19H2,1H3,(H,21,22,24);2-4,7,10,25H,5-6,8-9H2,1H3,(H,20,21,23);4-7,11H,3,8-10H2,1-2H3,(H,20,21,23)
• InChIKey: MOWSOGCEAGULDH-UHFFFAOYSA-N
• XLogP: 17.85
• TPSA: 656.60 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 23
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2762.28
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 159629119) is 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one is CC(=O)NC1CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1.CC1(N)CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1.CC1(O)CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1.CCCOCCN(C)C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCC(c2cccnc2)CC1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCN(c2ccccc2)CC1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCN(c2ccccc2)CC1.

What is the InChIKey of 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is MOWSOGCEAGULDH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H19N5O2S.C19H19N5O3S.C18H19N5O2S.C18H18N4O3S.C18H20N4O3S/c28-21-19-18(25-20(26-21)17-5-1-2-9-24-17)16(13-30-19)22(29)27-10-6-14(7-11-27)15-4-3-8-23-12-15;2*28-21-19-18(24-20(25-21)17-8-4-5-9-23-17)16(14-30-19)22(29)27-12-10-26(11-13-27)15-6-2-1-3-7-15;1-11(25)21-12-5-8-24(9-6-12)19(27)13-10-28-16-15(13)22-17(23-18(16)26)14-4-2-3-7-20-14;1-18(19)5-8-23(9-6-18)17(25)11-10-26-14-13(11)21-15(22-16(14)24)12-4-2-3-7-20-12;1-18(25)5-8-22(9-6-18)17(24)11-10-26-14-13(11)20-15(21-16(14)23)12-4-2-3-7-19-12;1-3-9-25-10-8-22(2)18(24)12-11-26-15-14(12)20-16(21-17(15)23)13-6-4-5-7-19-13/h1-5,8-9,12-14H,6-7,10-11H2,(H,25,26,28);2*1-9,14H,10-13H2,(H,24,25,28);2-4,7,10,12H,5-6,8-9H2,1H3,(H,21,25)(H,22,23,26);2-4,7,10H,5-6,8-9,19H2,1H3,(H,21,22,24);2-4,7,10,25H,5-6,8-9H2,1H3,(H,20,21,23);4-7,11H,3,8-10H2,1-2H3,(H,20,21,23).

What are the key properties of 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?

7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 2762.28 g/mol, XLogP of 17.85, 23 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 159629119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159629119 — identifiers, structure, computed properties (public domain)

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