N,N-dimethyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;bis(2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide)

C99H107N19O5S6 — CID 157150320

About N,N-dimethyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;bis(2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide)

N,N-dimethyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;bis(2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide) (PubChem CID 157150320) has the molecular formula C99H107N19O5S6 and a molecular weight of 1835.47 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;bis(2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide).

Molecular Properties

• Compound Name: N,N-dimethyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;bis(2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide)
• PubChem CID: 157150320
• Molecular Formula: C99H107N19O5S6
• Molecular Weight: 1835.47 g/mol
• Exact Mass: 1833.70
• IUPAC Name: N,N-dimethyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;bis(2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide)
• SMILES: CNC(=O)c1nnc(CC2CCNC2)c2cc(-c3ccc(C)cc3)sc12.CNC(=O)c1nnc(CC2CCSC2)c2cc(-c3ccc(C)cc3)sc12.Cc1ccc(-c2cc3c(CC4CCNC4)nnc(C(=O)N(C)C)c3s2)cc1.Cc1ccc(-c2cc3c(CC4CCNC4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(CC4CCNC4)nnc(C(N)=O)c3s2)cc1
• InChI: InChI=1S/C21H24N4OS.C20H22N4OS.C20H21N3OS2.2C19H20N4OS/c1-13-4-6-15(7-5-13)18-11-16-17(10-14-8-9-22-12-14)23-24-19(20(16)27-18)21(26)25(2)3;1-12-3-5-14(6-4-12)17-10-15-16(9-13-7-8-22-11-13)23-24-18(19(15)26-17)20(25)21-2;1-12-3-5-14(6-4-12)17-10-15-16(9-13-7-8-25-11-13)22-23-18(19(15)26-17)20(24)21-2;2*1-11-2-4-13(5-3-11)16-9-14-15(8-12-6-7-21-10-12)22-23-17(19(20)24)18(14)25-16/h4-7,11,14,22H,8-10,12H2,1-3H3;3-6,10,13,22H,7-9,11H2,1-2H3,(H,21,25);3-6,10,13H,7-9,11H2,1-2H3,(H,21,24);2*2-5,9,12,21H,6-8,10H2,1H3,(H2,20,24)
• InChIKey: ALEHYAWHJSFMID-UHFFFAOYSA-N
• XLogP: 16.86
• TPSA: 341.71 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1835.47
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of N,N-dimethyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;bis(2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide) (CID 157150320) is N,N-dimethyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;bis(2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide).

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

The canonical SMILES for N,N-dimethyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;bis(2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide) is CNC(=O)c1nnc(CC2CCNC2)c2cc(-c3ccc(C)cc3)sc12.CNC(=O)c1nnc(CC2CCSC2)c2cc(-c3ccc(C)cc3)sc12.Cc1ccc(-c2cc3c(CC4CCNC4)nnc(C(=O)N(C)C)c3s2)cc1.Cc1ccc(-c2cc3c(CC4CCNC4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(CC4CCNC4)nnc(C(N)=O)c3s2)cc1.

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

The InChIKey is ALEHYAWHJSFMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS.C20H22N4OS.C20H21N3OS2.2C19H20N4OS/c1-13-4-6-15(7-5-13)18-11-16-17(10-14-8-9-22-12-14)23-24-19(20(16)27-18)21(26)25(2)3;1-12-3-5-14(6-4-12)17-10-15-16(9-13-7-8-22-11-13)23-24-18(19(15)26-17)20(25)21-2;1-12-3-5-14(6-4-12)17-10-15-16(9-13-7-8-25-11-13)22-23-18(19(15)26-17)20(24)21-2;2*1-11-2-4-13(5-3-11)16-9-14-15(8-12-6-7-21-10-12)22-23-17(19(20)24)18(14)25-16/h4-7,11,14,22H,8-10,12H2,1-3H3;3-6,10,13,22H,7-9,11H2,1-2H3,(H,21,25);3-6,10,13H,7-9,11H2,1-2H3,(H,21,24);2*2-5,9,12,21H,6-8,10H2,1H3,(H2,20,24).

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

N,N-dimethyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;bis(2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide) has a molecular weight of 1835.47 g/mol, XLogP of 16.86, 20 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;bis(2-(4-methylphenyl)-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide) is sourced from PubChem (CID 157150320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).