N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-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;N-(3-methylsulfonylpropyl)-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

C109H127N27O16S7 — CID 159327658

IUPACN-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-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;N-(3-methylsulfonylpropyl)-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCNS(=O)(=O)CCCNC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.COCCCCCC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.COCCCCN(C)C(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.COc1ccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCN(C)CC4)c23)cn1.CS(=O)(=O)CCCNC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C25H27N7O2S.C22H27N5O3S.C22H26N4O3S.C20H24N6O4S2.C20H23N5O4S2/c1-31-11-13-32(14-12-31)23-21-18(24(33)27-10-8-17-6-7-20(34-2)28-15-17)16-35-25(21)30-22(29-23)19-5-3-4-9-26-19;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;1-28-12-6-2-3-8-18(27)16-15-30-22-19(16)21(26-10-13-29-14-11-26)24-20(25-22)17-7-4-5-9-23-17;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;1-31(27,28)12-4-7-22-19(26)14-13-30-20-16(14)18(25-8-10-29-11-9-25)23-17(24-20)15-5-2-3-6-21-15/h3-7,9,15-16H,8,10-14H2,1-2H3,(H,27,33);3-4,7-8,15H,5-6,9-14H2,1-2H3;4-5,7,9,15H,2-3,6,8,10-14H2,1H3;2-3,5-6,13,21H,4,7-12H2,1H3,(H,23,27);2-3,5-6,13H,4,7-12H2,1H3,(H,22,26)
InChIKeyLEOKQUOSOPGLCM-UHFFFAOYSA-N
MW2295.86 g/mol
LogP12.96
Rot. Bonds39

About N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-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;N-(3-methylsulfonylpropyl)-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;6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-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;N-(3-methylsulfonylpropyl)-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 159327658) has the molecular formula C109H127N27O16S7 and a molecular weight of 2295.86 g/mol. Its IUPAC name is N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-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;N-(3-methylsulfonylpropyl)-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-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;N-(3-methylsulfonylpropyl)-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID159327658
Molecular FormulaC109H127N27O16S7
Molecular Weight2295.86 g/mol
Exact Mass2293.80
IUPAC NameN-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-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;N-(3-methylsulfonylpropyl)-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCNS(=O)(=O)CCCNC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.COCCCCCC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.COCCCCN(C)C(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.COc1ccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCN(C)CC4)c23)cn1.CS(=O)(=O)CCCNC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C25H27N7O2S.C22H27N5O3S.C22H26N4O3S.C20H24N6O4S2.C20H23N5O4S2/c1-31-11-13-32(14-12-31)23-21-18(24(33)27-10-8-17-6-7-20(34-2)28-15-17)16-35-25(21)30-22(29-23)19-5-3-4-9-26-19;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;1-28-12-6-2-3-8-18(27)16-15-30-22-19(16)21(26-10-13-29-14-11-26)24-20(25-22)17-7-4-5-9-23-17;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;1-31(27,28)12-4-7-22-19(26)14-13-30-20-16(14)18(25-8-10-29-11-9-25)23-17(24-20)15-5-2-3-6-21-15/h3-7,9,15-16H,8,10-14H2,1-2H3,(H,27,33);3-4,7-8,15H,5-6,9-14H2,1-2H3;4-5,7,9,15H,2-3,6,8,10-14H2,1H3;2-3,5-6,13,21H,4,7-12H2,1H3,(H,23,27);2-3,5-6,13H,4,7-12H2,1H3,(H,22,26)
InChIKeyLEOKQUOSOPGLCM-UHFFFAOYSA-N
XLogP12.96
TPSA495.28 Ų
H-Bond Donors4
H-Bond Acceptors43
Rotatable Bonds39
Heavy Atoms159
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002295.86
LogP ≤ 512.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-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;N-(3-methylsulfonylpropyl)-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-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;N-(3-methylsulfonylpropyl)-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-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;N-(3-methylsulfonylpropyl)-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 159327658) is N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-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;N-(3-methylsulfonylpropyl)-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-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;N-(3-methylsulfonylpropyl)-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-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;N-(3-methylsulfonylpropyl)-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is CNS(=O)(=O)CCCNC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.COCCCCCC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.COCCCCN(C)C(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.COc1ccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCN(C)CC4)c23)cn1.CS(=O)(=O)CCCNC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.
What is the InChIKey of N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-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;N-(3-methylsulfonylpropyl)-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LEOKQUOSOPGLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2S.C22H27N5O3S.C22H26N4O3S.C20H24N6O4S2.C20H23N5O4S2/c1-31-11-13-32(14-12-31)23-21-18(24(33)27-10-8-17-6-7-20(34-2)28-15-17)16-35-25(21)30-22(29-23)19-5-3-4-9-26-19;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;1-28-12-6-2-3-8-18(27)16-15-30-22-19(16)21(26-10-13-29-14-11-26)24-20(25-22)17-7-4-5-9-23-17;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;1-31(27,28)12-4-7-22-19(26)14-13-30-20-16(14)18(25-8-10-29-11-9-25)23-17(24-20)15-5-2-3-6-21-15/h3-7,9,15-16H,8,10-14H2,1-2H3,(H,27,33);3-4,7-8,15H,5-6,9-14H2,1-2H3;4-5,7,9,15H,2-3,6,8,10-14H2,1H3;2-3,5-6,13,21H,4,7-12H2,1H3,(H,23,27);2-3,5-6,13H,4,7-12H2,1H3,(H,22,26).
What are the key properties of N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-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;N-(3-methylsulfonylpropyl)-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;6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-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;N-(3-methylsulfonylpropyl)-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 2295.86 g/mol, XLogP of 12.96, 39 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-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;N-(3-methylsulfonylpropyl)-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 159327658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).