5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoropropan-2-ylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

C116H126FN27O15S8 — CID 160783224

About 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoropropan-2-ylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoropropan-2-ylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (PubChem CID 160783224) has the molecular formula C116H126FN27O15S8 and a molecular weight of 2413.99 g/mol. Its IUPAC name is 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoropropan-2-ylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoropropan-2-ylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
• PubChem CID: 160783224
• Molecular Formula: C116H126FN27O15S8
• Molecular Weight: 2413.99 g/mol
• Exact Mass: 2411.77
• IUPAC Name: 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoropropan-2-ylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
• SMILES: Cc1ccc(N2CCC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1ccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(C)C)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(C)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)CCO4)c(N)c2c1C
• InChI: InChI=1S/C20H21N5O3S.C20H23N5OS.C20H24N4O3S2.C19H21FN4O3S2.C19H19N5O3S.C18H18N4O2S/c1-10-4-6-14(7-5-10)28-20(27)25-8-13(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)29-17;1-11-4-6-15(7-5-11)25-9-8-14(10-25)22-19(26)18-17(21)16-12(2)13(3)23-24-20(16)27-18;1-11-12(2)23-24-19-15(11)16(21)17(28-19)18(25)22-10-13-6-8-14(9-7-13)29(26,27)20(3,4)5;1-10-11(2)23-24-18-14(10)15(21)16(28-18)17(25)22-9-12-5-7-13(8-6-12)29(26,27)19(3,4)20;1-10-11(2)22-23-18-14(10)15(20)16(28-18)17(25)21-12-8-24(9-12)19(26)27-13-6-4-3-5-7-13;1-9-10(2)21-22-18-14(9)15(19)16(25-18)17(23)20-8-11-3-4-13-12(7-11)5-6-24-13/h4-7,13H,8-9,21H2,1-3H3,(H,22,26);4-7,14H,8-10,21H2,1-3H3,(H,22,26);6-9H,10,21H2,1-5H3,(H,22,25);5-8H,9,21H2,1-4H3,(H,22,25);3-7,12H,8-9,20H2,1-2H3,(H,21,25);3-4,7H,5-6,8,19H2,1-2H3,(H,20,23)
• InChIKey: SAVXCUVAUABNOC-UHFFFAOYSA-N
• XLogP: 17.97
• TPSA: 625.23 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 40
• Rotatable Bonds: 21
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2413.99
LogP ≤ 5	17.97
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoropropan-2-ylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The IUPAC name of 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoropropan-2-ylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (CID 160783224) is 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoropropan-2-ylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

What is the SMILES notation for 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoropropan-2-ylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The canonical SMILES for 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoropropan-2-ylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is Cc1ccc(N2CCC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1ccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(C)C)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(C)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)CCO4)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoropropan-2-ylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The InChIKey is SAVXCUVAUABNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S.C20H23N5OS.C20H24N4O3S2.C19H21FN4O3S2.C19H19N5O3S.C18H18N4O2S/c1-10-4-6-14(7-5-10)28-20(27)25-8-13(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)29-17;1-11-4-6-15(7-5-11)25-9-8-14(10-25)22-19(26)18-17(21)16-12(2)13(3)23-24-20(16)27-18;1-11-12(2)23-24-19-15(11)16(21)17(28-19)18(25)22-10-13-6-8-14(9-7-13)29(26,27)20(3,4)5;1-10-11(2)23-24-18-14(10)15(21)16(28-18)17(25)22-9-12-5-7-13(8-6-12)29(26,27)19(3,4)20;1-10-11(2)22-23-18-14(10)15(20)16(28-18)17(25)21-12-8-24(9-12)19(26)27-13-6-4-3-5-7-13;1-9-10(2)21-22-18-14(9)15(19)16(25-18)17(23)20-8-11-3-4-13-12(7-11)5-6-24-13/h4-7,13H,8-9,21H2,1-3H3,(H,22,26);4-7,14H,8-10,21H2,1-3H3,(H,22,26);6-9H,10,21H2,1-5H3,(H,22,25);5-8H,9,21H2,1-4H3,(H,22,25);3-7,12H,8-9,20H2,1-2H3,(H,21,25);3-4,7H,5-6,8,19H2,1-2H3,(H,20,23).

What are the key properties of 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoropropan-2-ylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoropropan-2-ylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate has a molecular weight of 2413.99 g/mol, XLogP of 17.97, 21 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoropropan-2-ylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 160783224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).