5-amino-N-[[4-(dimethylamino)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyrrol-1-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide

C95H102F3N23O8S7 — CID 158139169

About 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyrrol-1-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[[4-(dimethylamino)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyrrol-1-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 158139169) has the molecular formula C95H102F3N23O8S7 and a molecular weight of 1975.48 g/mol. Its IUPAC name is 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyrrol-1-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyrrol-1-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 158139169
• Molecular Formula: C95H102F3N23O8S7
• Molecular Weight: 1975.48 g/mol
• Exact Mass: 1973.63
• IUPAC Name: 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyrrol-1-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide
• SMILES: CCCS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)NC3CN(C(=O)Cc4cccs4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-n4cccc4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(C(C)(C)C(F)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(N(C)C)cc3)c(N)c2c1C
• InChI: InChI=1S/C20H21F3N4OS.C20H19N5OS.C19H22N4O3S2.C18H19N5O2S2.C18H21N5OS/c1-10-11(2)26-27-18-14(10)15(24)16(29-18)17(28)25-9-12-5-7-13(8-6-12)19(3,4)20(21,22)23;1-12-13(2)23-24-20-16(12)17(21)18(27-20)19(26)22-11-14-5-7-15(8-6-14)25-9-3-4-10-25;1-4-9-28(25,26)14-7-5-13(6-8-14)10-21-18(24)17-16(20)15-11(2)12(3)22-23-19(15)27-17;1-9-10(2)21-22-18-14(9)15(19)16(27-18)17(25)20-11-7-23(8-11)13(24)6-12-4-3-5-26-12;1-10-11(2)21-22-18-14(10)15(19)16(25-18)17(24)20-9-12-5-7-13(8-6-12)23(3)4/h5-8H,9,24H2,1-4H3,(H,25,28);3-10H,11,21H2,1-2H3,(H,22,26);5-8H,4,9-10,20H2,1-3H3,(H,21,24);3-5,11H,6-8,19H2,1-2H3,(H,20,25);5-8H,9,19H2,1-4H3,(H,20,24)
• InChIKey: FTSOSAQNGMTWNC-UHFFFAOYSA-N
• XLogP: 16.30
• TPSA: 467.12 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1975.48
LogP ≤ 5	16.30
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

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-(dimethylamino)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyrrol-1-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyrrol-1-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide (CID 158139169) is 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyrrol-1-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyrrol-1-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyrrol-1-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide is CCCS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)NC3CN(C(=O)Cc4cccs4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-n4cccc4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(C(C)(C)C(F)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(N(C)C)cc3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyrrol-1-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is FTSOSAQNGMTWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4OS.C20H19N5OS.C19H22N4O3S2.C18H19N5O2S2.C18H21N5OS/c1-10-11(2)26-27-18-14(10)15(24)16(29-18)17(28)25-9-12-5-7-13(8-6-12)19(3,4)20(21,22)23;1-12-13(2)23-24-20-16(12)17(21)18(27-20)19(26)22-11-14-5-7-15(8-6-14)25-9-3-4-10-25;1-4-9-28(25,26)14-7-5-13(6-8-14)10-21-18(24)17-16(20)15-11(2)12(3)22-23-19(15)27-17;1-9-10(2)21-22-18-14(9)15(19)16(27-18)17(25)20-11-7-23(8-11)13(24)6-12-4-3-5-26-12;1-10-11(2)21-22-18-14(10)15(19)16(25-18)17(24)20-9-12-5-7-13(8-6-12)23(3)4/h5-8H,9,24H2,1-4H3,(H,25,28);3-10H,11,21H2,1-2H3,(H,22,26);5-8H,4,9-10,20H2,1-3H3,(H,21,24);3-5,11H,6-8,19H2,1-2H3,(H,20,25);5-8H,9,19H2,1-4H3,(H,20,24).

What are the key properties of 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyrrol-1-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide?

5-amino-N-[[4-(dimethylamino)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyrrol-1-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 1975.48 g/mol, XLogP of 16.30, 22 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyrrol-1-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 158139169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).