N,N-dimethyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide

C104H89N19O5S6 — CID 157223996

About N,N-dimethyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide

N,N-dimethyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 157223996) has the molecular formula C104H89N19O5S6 and a molecular weight of 1877.39 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
• PubChem CID: 157223996
• Molecular Formula: C104H89N19O5S6
• Molecular Weight: 1877.39 g/mol
• Exact Mass: 1875.56
• IUPAC Name: N,N-dimethyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
• SMILES: CNC(=O)c1nnc(CC2=CSC=CC2)c2cc(-c3ccc(C)cc3)sc12.CNC(=O)c1nnc(Cc2cccnc2)c2cc(-c3ccc(C)cc3)sc12.Cc1ccc(-c2cc3c(Cc4ccccn4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(Cc4cccnc4)nnc(C(=O)N(C)C)c3s2)cc1.Cc1ccc(-c2cc3c(Cc4ccncc4)nnc(C(N)=O)c3s2)cc1
• InChI: InChI=1S/C22H20N4OS.C21H18N4OS.C21H19N3OS2.2C20H16N4OS/c1-14-6-8-16(9-7-14)19-12-17-18(11-15-5-4-10-23-13-15)24-25-20(21(17)28-19)22(27)26(2)3;1-13-5-7-15(8-6-13)18-11-16-17(10-14-4-3-9-23-12-14)24-25-19(20(16)27-18)21(26)22-2;1-13-5-7-15(8-6-13)18-11-16-17(10-14-4-3-9-26-12-14)23-24-19(20(16)27-18)21(25)22-2;1-12-2-4-14(5-3-12)17-11-15-16(10-13-6-8-22-9-7-13)23-24-18(20(21)25)19(15)26-17;1-12-5-7-13(8-6-12)17-11-15-16(10-14-4-2-3-9-22-14)23-24-18(20(21)25)19(15)26-17/h4-10,12-13H,11H2,1-3H3;3-9,11-12H,10H2,1-2H3,(H,22,26);3,5-9,11-12H,4,10H2,1-2H3,(H,22,25);2*2-9,11H,10H2,1H3,(H2,21,25)
• InChIKey: ATIBUWFQUNDPKA-UHFFFAOYSA-N
• XLogP: 20.97
• TPSA: 345.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1877.39
LogP ≤ 5	20.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?

The IUPAC name of N,N-dimethyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide (CID 157223996) is N,N-dimethyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide.

What is the SMILES notation for N,N-dimethyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?

The canonical SMILES for N,N-dimethyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide is CNC(=O)c1nnc(CC2=CSC=CC2)c2cc(-c3ccc(C)cc3)sc12.CNC(=O)c1nnc(Cc2cccnc2)c2cc(-c3ccc(C)cc3)sc12.Cc1ccc(-c2cc3c(Cc4ccccn4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(Cc4cccnc4)nnc(C(=O)N(C)C)c3s2)cc1.Cc1ccc(-c2cc3c(Cc4ccncc4)nnc(C(N)=O)c3s2)cc1.

What is the InChIKey of N,N-dimethyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?

The InChIKey is ATIBUWFQUNDPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS.C21H18N4OS.C21H19N3OS2.2C20H16N4OS/c1-14-6-8-16(9-7-14)19-12-17-18(11-15-5-4-10-23-13-15)24-25-20(21(17)28-19)22(27)26(2)3;1-13-5-7-15(8-6-13)18-11-16-17(10-14-4-3-9-23-12-14)24-25-19(20(16)27-18)21(26)22-2;1-13-5-7-15(8-6-13)18-11-16-17(10-14-4-3-9-26-12-14)23-24-19(20(16)27-18)21(25)22-2;1-12-2-4-14(5-3-12)17-11-15-16(10-13-6-8-22-9-7-13)23-24-18(20(21)25)19(15)26-17;1-12-5-7-13(8-6-12)17-11-15-16(10-14-4-2-3-9-22-14)23-24-18(20(21)25)19(15)26-17/h4-10,12-13H,11H2,1-3H3;3-9,11-12H,10H2,1-2H3,(H,22,26);3,5-9,11-12H,4,10H2,1-2H3,(H,22,25);2*2-9,11H,10H2,1H3,(H2,21,25).

What are the key properties of N,N-dimethyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?

N,N-dimethyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 1877.39 g/mol, XLogP of 20.97, 20 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyridin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(pyridin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 157223996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).