N-methyl-N-[2-(2-methyl-4-pyridinyl)ethyl]-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-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide

C68H72N18O8S4 — CID 158187975

IUPACN-methyl-N-[2-(2-methyl-4-pyridinyl)ethyl]-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-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCNS(=O)(=O)CCCNC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.Cc1cc(CCN(C)C(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)ccn1.O=C(NCCc1cccnc1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C25H26N6O2S.C23H22N6O2S.C20H24N6O4S2/c1-17-15-18(6-9-26-17)7-10-30(2)25(32)19-16-34-24-21(19)23(31-11-13-33-14-12-31)28-22(29-24)20-5-3-4-8-27-20;30-22(26-9-6-16-4-3-7-24-14-16)17-15-32-23-19(17)21(29-10-12-31-13-11-29)27-20(28-23)18-5-1-2-8-25-18;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/h3-6,8-9,15-16H,7,10-14H2,1-2H3;1-5,7-8,14-15H,6,9-13H2,(H,26,30);2-3,5-6,13,21H,4,7-12H2,1H3,(H,23,27)
InChIKeyFZJMKJQJVCSELS-UHFFFAOYSA-N
MW1397.71 g/mol
LogP7.82
Rot. Bonds20

About N-methyl-N-[2-(2-methyl-4-pyridinyl)ethyl]-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-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide

N-methyl-N-[2-(2-methyl-4-pyridinyl)ethyl]-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-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 158187975) has the molecular formula C68H72N18O8S4 and a molecular weight of 1397.71 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methyl-4-pyridinyl)ethyl]-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-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methyl-4-pyridinyl)ethyl]-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-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID158187975
Molecular FormulaC68H72N18O8S4
Molecular Weight1397.71 g/mol
Exact Mass1396.47
IUPAC NameN-methyl-N-[2-(2-methyl-4-pyridinyl)ethyl]-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-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCNS(=O)(=O)CCCNC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.Cc1cc(CCN(C)C(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)ccn1.O=C(NCCc1cccnc1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C25H26N6O2S.C23H22N6O2S.C20H24N6O4S2/c1-17-15-18(6-9-26-17)7-10-30(2)25(32)19-16-34-24-21(19)23(31-11-13-33-14-12-31)28-22(29-24)20-5-3-4-8-27-20;30-22(26-9-6-16-4-3-7-24-14-16)17-15-32-23-19(17)21(29-10-12-31-13-11-29)27-20(28-23)18-5-1-2-8-25-18;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/h3-6,8-9,15-16H,7,10-14H2,1-2H3;1-5,7-8,14-15H,6,9-13H2,(H,26,30);2-3,5-6,13,21H,4,7-12H2,1H3,(H,23,27)
InChIKeyFZJMKJQJVCSELS-UHFFFAOYSA-N
XLogP7.82
TPSA303.88 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001397.71
LogP ≤ 57.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze N-methyl-N-[2-(2-methyl-4-pyridinyl)ethyl]-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-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

US10940139, Example 02899
CID 137429821
5-methyl-N-(3-morpholinopropyl)-4-[4-(2-pyridyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 6616993
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 6617011
5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 6617039
5-methyl-4-morpholin-4-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 23827864
[4-[5,6-Dimethyl-4-(4-morpholin-4-ylanilino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 16034839
4-[5,6-Dimethyl-4-(4-morpholin-4-yl-phenylamino)-thieno[2,3-d]pyrimidin-2-yl]-piperazin-1-yl-pyridin-2-yl-methanone
CID 16064789
[4-[5,6-Dimethyl-4-(4-morpholin-4-ylanilino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 16064790
4-[5,6-Dimethyl-4-(6-morpholinopyridin-3-ylamino)-thieno[2,3-d]pyrimidin-2-yl]-piperazin-1-yl-pyridin-2-yl-methanone
CID 16064930
[4-[5,6-Dimethyl-4-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 16064931
[4-[5,6-Dimethyl-4-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 16064932
[2-(2-Aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 59829226

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methyl-4-pyridinyl)ethyl]-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-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-N-[2-(2-methyl-4-pyridinyl)ethyl]-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-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide (CID 158187975) is N-methyl-N-[2-(2-methyl-4-pyridinyl)ethyl]-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-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(2-methyl-4-pyridinyl)ethyl]-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-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-N-[2-(2-methyl-4-pyridinyl)ethyl]-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-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide is CNS(=O)(=O)CCCNC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.Cc1cc(CCN(C)C(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)ccn1.O=C(NCCc1cccnc1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.
What is the InChIKey of N-methyl-N-[2-(2-methyl-4-pyridinyl)ethyl]-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-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is FZJMKJQJVCSELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S.C23H22N6O2S.C20H24N6O4S2/c1-17-15-18(6-9-26-17)7-10-30(2)25(32)19-16-34-24-21(19)23(31-11-13-33-14-12-31)28-22(29-24)20-5-3-4-8-27-20;30-22(26-9-6-16-4-3-7-24-14-16)17-15-32-23-19(17)21(29-10-12-31-13-11-29)27-20(28-23)18-5-1-2-8-25-18;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/h3-6,8-9,15-16H,7,10-14H2,1-2H3;1-5,7-8,14-15H,6,9-13H2,(H,26,30);2-3,5-6,13,21H,4,7-12H2,1H3,(H,23,27).
What are the key properties of N-methyl-N-[2-(2-methyl-4-pyridinyl)ethyl]-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-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
N-methyl-N-[2-(2-methyl-4-pyridinyl)ethyl]-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-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 1397.71 g/mol, XLogP of 7.82, 20 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methyl-4-pyridinyl)ethyl]-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-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 158187975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).