2-(4-chlorophenyl)-4-(cyclohexylmethyl)-N-methylthieno[2,3-d]pyridazine-7-carboxamide;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclohexylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(piperidin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide

C82H87Cl2N13O4S4 — CID 157239232

About 2-(4-chlorophenyl)-4-(cyclohexylmethyl)-N-methylthieno[2,3-d]pyridazine-7-carboxamide;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclohexylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(piperidin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide

2-(4-chlorophenyl)-4-(cyclohexylmethyl)-N-methylthieno[2,3-d]pyridazine-7-carboxamide;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclohexylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(piperidin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 157239232) has the molecular formula C82H87Cl2N13O4S4 and a molecular weight of 1517.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(cyclohexylmethyl)-N-methylthieno[2,3-d]pyridazine-7-carboxamide;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclohexylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(piperidin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-4-(cyclohexylmethyl)-N-methylthieno[2,3-d]pyridazine-7-carboxamide;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclohexylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(piperidin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
• PubChem CID: 157239232
• Molecular Formula: C82H87Cl2N13O4S4
• Molecular Weight: 1517.86 g/mol
• Exact Mass: 1515.53
• IUPAC Name: 2-(4-chlorophenyl)-4-(cyclohexylmethyl)-N-methylthieno[2,3-d]pyridazine-7-carboxamide;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclohexylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(piperidin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
• SMILES: CNC(=O)c1nnc(CC2CCCCC2)c2cc(-c3ccc(Cl)cc3)sc12.Cc1ccc(-c2cc3c(CC4CCCCC4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(CC4CCNCC4)nnc(C(N)=O)c3s2)cc1.NC(=O)c1nnc(CC2CCCCC2)c2cc(-c3ccc(Cl)cc3)sc12
• InChI: InChI=1S/C21H22ClN3OS.C21H23N3OS.C20H20ClN3OS.C20H22N4OS/c1-23-21(26)19-20-16(12-18(27-20)14-7-9-15(22)10-8-14)17(24-25-19)11-13-5-3-2-4-6-13;1-13-7-9-15(10-8-13)18-12-16-17(11-14-5-3-2-4-6-14)23-24-19(21(22)25)20(16)26-18;21-14-8-6-13(7-9-14)17-11-15-16(10-12-4-2-1-3-5-12)23-24-18(20(22)25)19(15)26-17;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/h7-10,12-13H,2-6,11H2,1H3,(H,23,26);7-10,12,14H,2-6,11H2,1H3,(H2,22,25);6-9,11-12H,1-5,10H2,(H2,22,25);2-5,11,13,22H,6-10H2,1H3,(H2,21,25)
• InChIKey: AUZVTXHPNDWOJG-UHFFFAOYSA-N
• XLogP: 18.92
• TPSA: 273.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1517.86
LogP ≤ 5	18.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(cyclohexylmethyl)-N-methylthieno[2,3-d]pyridazine-7-carboxamide;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclohexylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(piperidin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?

The IUPAC name of 2-(4-chlorophenyl)-4-(cyclohexylmethyl)-N-methylthieno[2,3-d]pyridazine-7-carboxamide;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclohexylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(piperidin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide (CID 157239232) is 2-(4-chlorophenyl)-4-(cyclohexylmethyl)-N-methylthieno[2,3-d]pyridazine-7-carboxamide;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclohexylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(piperidin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide.

What is the SMILES notation for 2-(4-chlorophenyl)-4-(cyclohexylmethyl)-N-methylthieno[2,3-d]pyridazine-7-carboxamide;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclohexylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(piperidin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?

The canonical SMILES for 2-(4-chlorophenyl)-4-(cyclohexylmethyl)-N-methylthieno[2,3-d]pyridazine-7-carboxamide;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclohexylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(piperidin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide is CNC(=O)c1nnc(CC2CCCCC2)c2cc(-c3ccc(Cl)cc3)sc12.Cc1ccc(-c2cc3c(CC4CCCCC4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(CC4CCNCC4)nnc(C(N)=O)c3s2)cc1.NC(=O)c1nnc(CC2CCCCC2)c2cc(-c3ccc(Cl)cc3)sc12.

What is the InChIKey of 2-(4-chlorophenyl)-4-(cyclohexylmethyl)-N-methylthieno[2,3-d]pyridazine-7-carboxamide;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclohexylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(piperidin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?

The InChIKey is AUZVTXHPNDWOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3OS.C21H23N3OS.C20H20ClN3OS.C20H22N4OS/c1-23-21(26)19-20-16(12-18(27-20)14-7-9-15(22)10-8-14)17(24-25-19)11-13-5-3-2-4-6-13;1-13-7-9-15(10-8-13)18-12-16-17(11-14-5-3-2-4-6-14)23-24-19(21(22)25)20(16)26-18;21-14-8-6-13(7-9-14)17-11-15-16(10-12-4-2-1-3-5-12)23-24-18(20(22)25)19(15)26-17;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/h7-10,12-13H,2-6,11H2,1H3,(H,23,26);7-10,12,14H,2-6,11H2,1H3,(H2,22,25);6-9,11-12H,1-5,10H2,(H2,22,25);2-5,11,13,22H,6-10H2,1H3,(H2,21,25).

What are the key properties of 2-(4-chlorophenyl)-4-(cyclohexylmethyl)-N-methylthieno[2,3-d]pyridazine-7-carboxamide;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclohexylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(piperidin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?

2-(4-chlorophenyl)-4-(cyclohexylmethyl)-N-methylthieno[2,3-d]pyridazine-7-carboxamide;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclohexylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(piperidin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 1517.86 g/mol, XLogP of 18.92, 16 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-4-(cyclohexylmethyl)-N-methylthieno[2,3-d]pyridazine-7-carboxamide;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclohexylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;2-(4-methylphenyl)-4-(piperidin-4-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 157239232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).