5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylsulfanylazetidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

C107H114F2N26O13S8 — CID 161186453

About 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylsulfanylazetidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylsulfanylazetidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (PubChem CID 161186453) has the molecular formula C107H114F2N26O13S8 and a molecular weight of 2266.79 g/mol. Its IUPAC name is 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylsulfanylazetidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylsulfanylazetidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
• PubChem CID: 161186453
• Molecular Formula: C107H114F2N26O13S8
• Molecular Weight: 2266.79 g/mol
• Exact Mass: 2264.68
• IUPAC Name: 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylsulfanylazetidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
• SMILES: Cc1nnc2sc(C(=O)N3CC(Sc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(C(=O)c4cccs4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)OC(C)(C)C)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(OC(C)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)CCO4)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)OCCO4)c(N)c2c1C
• InChI: InChI=1S/C18H18F2N4O2S.C18H19N5O2S2.C18H18N4O3S.C18H18N4O2S.C18H18N4OS2.C17H23N5O3S/c1-9-10(2)23-24-17-13(9)14(21)15(27-17)16(25)22-8-11-4-6-12(7-5-11)26-18(3,19)20;1-9-10(2)21-22-17-13(9)14(19)15(27-17)16(24)20-11-5-6-23(8-11)18(25)12-4-3-7-26-12;1-9-10(2)21-22-18-14(9)15(19)16(26-18)17(23)20-8-11-3-4-12-13(7-11)25-6-5-24-12;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;1-10-11(2)20-21-17-14(10)15(19)16(25-17)18(23)22-8-13(9-22)24-12-6-4-3-5-7-12;1-8-9(2)20-21-15-11(8)12(18)13(26-15)14(23)19-10-6-22(7-10)16(24)25-17(3,4)5/h4-7H,8,21H2,1-3H3,(H,22,25);3-4,7,11H,5-6,8,19H2,1-2H3,(H,20,24);3-4,7H,5-6,8,19H2,1-2H3,(H,20,23);3-4,7H,5-6,8,19H2,1-2H3,(H,20,23);3-7,13H,8-9,19H2,1-2H3;10H,6-7,18H2,1-5H3,(H,19,23)
• InChIKey: UTDKCVXWJVPXSM-UHFFFAOYSA-N
• XLogP: 17.50
• TPSA: 563.38 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 19
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2266.79
LogP ≤ 5	17.50
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylsulfanylazetidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The IUPAC name of 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylsulfanylazetidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (CID 161186453) is 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylsulfanylazetidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 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-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylsulfanylazetidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The canonical SMILES for 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylsulfanylazetidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is Cc1nnc2sc(C(=O)N3CC(Sc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(C(=O)c4cccs4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)OC(C)(C)C)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(OC(C)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)CCO4)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)OCCO4)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylsulfanylazetidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The InChIKey is UTDKCVXWJVPXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2S.C18H19N5O2S2.C18H18N4O3S.C18H18N4O2S.C18H18N4OS2.C17H23N5O3S/c1-9-10(2)23-24-17-13(9)14(21)15(27-17)16(25)22-8-11-4-6-12(7-5-11)26-18(3,19)20;1-9-10(2)21-22-17-13(9)14(19)15(27-17)16(24)20-11-5-6-23(8-11)18(25)12-4-3-7-26-12;1-9-10(2)21-22-18-14(9)15(19)16(26-18)17(23)20-8-11-3-4-12-13(7-11)25-6-5-24-12;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;1-10-11(2)20-21-17-14(10)15(19)16(25-17)18(23)22-8-13(9-22)24-12-6-4-3-5-7-12;1-8-9(2)20-21-15-11(8)12(18)13(26-15)14(23)19-10-6-22(7-10)16(24)25-17(3,4)5/h4-7H,8,21H2,1-3H3,(H,22,25);3-4,7,11H,5-6,8,19H2,1-2H3,(H,20,24);3-4,7H,5-6,8,19H2,1-2H3,(H,20,23);3-4,7H,5-6,8,19H2,1-2H3,(H,20,23);3-7,13H,8-9,19H2,1-2H3;10H,6-7,18H2,1-5H3,(H,19,23).

What are the key properties of 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylsulfanylazetidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylsulfanylazetidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate has a molecular weight of 2266.79 g/mol, XLogP of 17.50, 19 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylsulfanylazetidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 161186453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).