N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide

C92H98N22O11S5 — CID 158182210

About N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide

N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 158182210) has the molecular formula C92H98N22O11S5 and a molecular weight of 1848.27 g/mol. Its IUPAC name is N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 158182210
• Molecular Formula: C92H98N22O11S5
• Molecular Weight: 1848.27 g/mol
• Exact Mass: 1846.64
• IUPAC Name: N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
• SMILES: C#Cc1cccc(CCN(C)C(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)c1.CNS(=O)(=O)CCCNC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.COCCCCN(C)C(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.O=C(NCCc1ccncc1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
• InChI: InChI=1S/C27H25N5O2S.C23H22N6O2S.C22H27N5O3S.C20H24N6O4S2/c1-3-19-7-6-8-20(17-19)10-12-31(2)27(33)21-18-35-26-23(21)25(32-13-15-34-16-14-32)29-24(30-26)22-9-4-5-11-28-22;30-22(26-10-6-16-4-8-24-9-5-16)17-15-32-23-19(17)21(29-11-13-31-14-12-29)27-20(28-23)18-3-1-2-7-25-18;1-26(9-5-6-12-29-2)22(28)16-15-31-21-18(16)20(27-10-13-30-14-11-27)24-19(25-21)17-7-3-4-8-23-17;1-21-32(28,29)12-4-7-23-19(27)14-13-31-20-16(14)18(26-8-10-30-11-9-26)24-17(25-20)15-5-2-3-6-22-15/h1,4-9,11,17-18H,10,12-16H2,2H3;1-5,7-9,15H,6,10-14H2,(H,26,30);3-4,7-8,15H,5-6,9-14H2,1-2H3;2-3,5-6,13,21H,4,7-12H2,1H3,(H,23,27)
• InChIKey: FYSQSYBWMHLUIZ-UHFFFAOYSA-N
• XLogP: 11.19
• TPSA: 371.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1848.27
LogP ≤ 5	11.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide (CID 158182210) is N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide is C#Cc1cccc(CCN(C)C(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)c1.CNS(=O)(=O)CCCNC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.COCCCCN(C)C(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.O=C(NCCc1ccncc1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.

What is the InChIKey of N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is FYSQSYBWMHLUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S.C23H22N6O2S.C22H27N5O3S.C20H24N6O4S2/c1-3-19-7-6-8-20(17-19)10-12-31(2)27(33)21-18-35-26-23(21)25(32-13-15-34-16-14-32)29-24(30-26)22-9-4-5-11-28-22;30-22(26-10-6-16-4-8-24-9-5-16)17-15-32-23-19(17)21(29-11-13-31-14-12-29)27-20(28-23)18-3-1-2-7-25-18;1-26(9-5-6-12-29-2)22(28)16-15-31-21-18(16)20(27-10-13-30-14-11-27)24-19(25-21)17-7-3-4-8-23-17;1-21-32(28,29)12-4-7-23-19(27)14-13-31-20-16(14)18(26-8-10-30-11-9-26)24-17(25-20)15-5-2-3-6-22-15/h1,4-9,11,17-18H,10,12-16H2,2H3;1-5,7-9,15H,6,10-14H2,(H,26,30);3-4,7-8,15H,5-6,9-14H2,1-2H3;2-3,5-6,13,21H,4,7-12H2,1H3,(H,23,27).

What are the key properties of N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?

N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 1848.27 g/mol, XLogP of 11.19, 28 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 158182210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).