5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-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-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide

C131H143F7N32O11S8 — CID 159623309

About 5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-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-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-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-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 159623309) has the molecular formula C131H143F7N32O11S8 and a molecular weight of 2731.32 g/mol. Its IUPAC name is 5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-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-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-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-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 159623309
• Molecular Formula: C131H143F7N32O11S8
• Molecular Weight: 2731.32 g/mol
• Exact Mass: 2728.93
• IUPAC Name: 5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-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-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
• SMILES: CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)NC3CCN(c4ccc(C(C)(F)F)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccccc4C(F)(F)F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccccc4OC(C)(F)F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCN3CCCCC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)CCO4)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)OCCO4)c(N)c2c1C
• InChI: InChI=1S/C21H23F2N5O2S.C21H23F2N5OS.C20H20F3N5OS.C18H18N4O3S.C18H18N4O2S.C17H18N4OS2.C16H23N5OS/c1-11-12(2)26-27-20-16(11)17(24)18(31-20)19(29)25-13-8-9-28(10-13)14-6-4-5-7-15(14)30-21(3,22)23;1-11-12(2)26-27-20-16(11)17(24)18(30-20)19(29)25-14-8-9-28(10-14)15-6-4-13(5-7-15)21(3,22)23;1-10-11(2)26-27-19-15(10)16(24)17(30-19)18(29)25-12-7-8-28(9-12)14-6-4-3-5-13(14)20(21,22)23;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;1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11;1-10-11(2)19-20-16-12(10)13(17)14(23-16)15(22)18-6-9-21-7-4-3-5-8-21/h4-7,13H,8-10,24H2,1-3H3,(H,25,29);4-7,14H,8-10,24H2,1-3H3,(H,25,29);3-6,12H,7-9,24H2,1-2H3,(H,25,29);3-4,7H,5-6,8,19H2,1-2H3,(H,20,23);3-4,7H,5-6,8,19H2,1-2H3,(H,20,23);4-7H,8,18H2,1-3H3,(H,19,22);3-9,17H2,1-2H3,(H,18,22)
• InChIKey: MOEBCYXOQNMIPF-UHFFFAOYSA-N
• XLogP: 22.81
• TPSA: 616.18 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 44
• Rotatable Bonds: 26
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2731.32
LogP ≤ 5	22.81
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-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-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-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-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide (CID 159623309) is 5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-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-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-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-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-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-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide is CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)NC3CCN(c4ccc(C(C)(F)F)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccccc4C(F)(F)F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccccc4OC(C)(F)F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCN3CCCCC3)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-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-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-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is MOEBCYXOQNMIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O2S.C21H23F2N5OS.C20H20F3N5OS.C18H18N4O3S.C18H18N4O2S.C17H18N4OS2.C16H23N5OS/c1-11-12(2)26-27-20-16(11)17(24)18(31-20)19(29)25-13-8-9-28(10-13)14-6-4-5-7-15(14)30-21(3,22)23;1-11-12(2)26-27-20-16(11)17(24)18(30-20)19(29)25-14-8-9-28(10-14)15-6-4-13(5-7-15)21(3,22)23;1-10-11(2)26-27-19-15(10)16(24)17(30-19)18(29)25-12-7-8-28(9-12)14-6-4-3-5-13(14)20(21,22)23;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;1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11;1-10-11(2)19-20-16-12(10)13(17)14(23-16)15(22)18-6-9-21-7-4-3-5-8-21/h4-7,13H,8-10,24H2,1-3H3,(H,25,29);4-7,14H,8-10,24H2,1-3H3,(H,25,29);3-6,12H,7-9,24H2,1-2H3,(H,25,29);3-4,7H,5-6,8,19H2,1-2H3,(H,20,23);3-4,7H,5-6,8,19H2,1-2H3,(H,20,23);4-7H,8,18H2,1-3H3,(H,19,22);3-9,17H2,1-2H3,(H,18,22).

What are the key properties of 5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-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-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide?

5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-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-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2731.32 g/mol, XLogP of 22.81, 26 rotatable bonds, 14 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-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-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 159623309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).