5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-6-methyl-4-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(2-methoxyethoxy)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate

C118H124F2N28O11S6 — CID 158715075

About 5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-6-methyl-4-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(2-methoxyethoxy)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate

5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-6-methyl-4-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(2-methoxyethoxy)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate (PubChem CID 158715075) has the molecular formula C118H124F2N28O11S6 and a molecular weight of 2340.87 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-6-methyl-4-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(2-methoxyethoxy)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: 5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-6-methyl-4-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(2-methoxyethoxy)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate
• PubChem CID: 158715075
• Molecular Formula: C118H124F2N28O11S6
• Molecular Weight: 2340.87 g/mol
• Exact Mass: 2338.83
• IUPAC Name: 5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-6-methyl-4-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(2-methoxyethoxy)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate
• SMILES: CCOc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COCCOCCNC(=O)c1sc2nnc(C)c(C)c2c1N.Cc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cc(F)n1.Cc1nnc2sc(C(=O)NCC3CN(C(=O)OC(C)(C)C)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccc5cccnc45)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4F)cc3)c(N)c2c1C
• InChI: InChI=1S/C25H21N5OS.C22H20FN5OS.C21H18FN5OS.C18H25N5O3S.C18H20N4O2S.C14H20N4O3S/c1-14-15(2)29-30-25-20(14)21(26)23(32-25)24(31)28-13-16-8-10-17(11-9-16)19-7-3-5-18-6-4-12-27-22(18)19;1-11-8-16(9-17(23)26-11)15-6-4-14(5-7-15)10-25-21(29)20-19(24)18-12(2)13(3)27-28-22(18)30-20;1-11-12(2)26-27-21-16(11)17(23)18(29-21)20(28)25-10-13-5-7-14(8-6-13)15-4-3-9-24-19(15)22;1-9-10(2)21-22-16-12(9)13(19)14(27-16)15(24)20-6-11-7-23(8-11)17(25)26-18(3,4)5;1-4-24-13-7-5-12(6-8-13)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)25-16;1-8-9(2)17-18-14-10(8)11(15)12(22-14)13(19)16-4-5-21-7-6-20-3/h3-12H,13,26H2,1-2H3,(H,28,31);4-9H,10,24H2,1-3H3,(H,25,29);3-9H,10,23H2,1-2H3,(H,25,28);11H,6-8,19H2,1-5H3,(H,20,24);5-8H,4,9,19H2,1-3H3,(H,20,23);4-7,15H2,1-3H3,(H,16,19)
• InChIKey: IJFCGXNSWQPESE-UHFFFAOYSA-N
• XLogP: 20.38
• TPSA: 581.30 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 27
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2340.87
LogP ≤ 5	20.38
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-6-methyl-4-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(2-methoxyethoxy)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate?

The IUPAC name of 5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-6-methyl-4-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(2-methoxyethoxy)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate (CID 158715075) is 5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-6-methyl-4-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(2-methoxyethoxy)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate.

What is the SMILES notation for 5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-6-methyl-4-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(2-methoxyethoxy)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate?

The canonical SMILES for 5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-6-methyl-4-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(2-methoxyethoxy)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate is CCOc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COCCOCCNC(=O)c1sc2nnc(C)c(C)c2c1N.Cc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cc(F)n1.Cc1nnc2sc(C(=O)NCC3CN(C(=O)OC(C)(C)C)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccc5cccnc45)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4F)cc3)c(N)c2c1C.

What is the InChIKey of 5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-6-methyl-4-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(2-methoxyethoxy)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate?

The InChIKey is IJFCGXNSWQPESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5OS.C22H20FN5OS.C21H18FN5OS.C18H25N5O3S.C18H20N4O2S.C14H20N4O3S/c1-14-15(2)29-30-25-20(14)21(26)23(32-25)24(31)28-13-16-8-10-17(11-9-16)19-7-3-5-18-6-4-12-27-22(18)19;1-11-8-16(9-17(23)26-11)15-6-4-14(5-7-15)10-25-21(29)20-19(24)18-12(2)13(3)27-28-22(18)30-20;1-11-12(2)26-27-21-16(11)17(23)18(29-21)20(28)25-10-13-5-7-14(8-6-13)15-4-3-9-24-19(15)22;1-9-10(2)21-22-16-12(9)13(19)14(27-16)15(24)20-6-11-7-23(8-11)17(25)26-18(3,4)5;1-4-24-13-7-5-12(6-8-13)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)25-16;1-8-9(2)17-18-14-10(8)11(15)12(22-14)13(19)16-4-5-21-7-6-20-3/h3-12H,13,26H2,1-2H3,(H,28,31);4-9H,10,24H2,1-3H3,(H,25,29);3-9H,10,23H2,1-2H3,(H,25,28);11H,6-8,19H2,1-5H3,(H,20,24);5-8H,4,9,19H2,1-3H3,(H,20,23);4-7,15H2,1-3H3,(H,16,19).

What are the key properties of 5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-6-methyl-4-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(2-methoxyethoxy)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate?

5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-6-methyl-4-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(2-methoxyethoxy)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate has a molecular weight of 2340.87 g/mol, XLogP of 20.38, 27 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-6-methyl-4-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(2-methoxyethoxy)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 158715075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).