5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)methyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;5-amino-N-[1-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C125H135F4N29O13S9 — CID 159600467

About 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)methyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;5-amino-N-[1-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)methyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;5-amino-N-[1-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 159600467) has the molecular formula C125H135F4N29O13S9 and a molecular weight of 2616.24 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-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)methyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;5-amino-N-[1-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)methyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;5-amino-N-[1-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 159600467
• Molecular Formula: C125H135F4N29O13S9
• Molecular Weight: 2616.24 g/mol
• Exact Mass: 2613.82
• IUPAC Name: 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)methyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;5-amino-N-[1-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: COc1ccc(C2(NC(=O)c3sc4nnc(C)c(C)c4c3N)CC2)cc1.COc1cccc(C2(F)CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)cc1F.Cc1ccc(CN2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)N3CC(C)(F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(C)C)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3cccc(S(C)(=O)=O)c3)c(N)c2c1C
• InChI: InChI=1S/C20H23N5OS.C20H24N4O3S2.C19H19FN4O2S.C19H20N4O2S.C17H16F2N4OS.C17H18N4O3S2.C13H15FN4OS/c1-11-4-6-14(7-5-11)8-25-9-15(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)22-23-17-14(10)15(21)16(27-17)18(25)24-8-19(20,9-24)12-5-4-6-13(7-12)26-3;1-10-11(2)22-23-18-14(10)15(20)16(26-18)17(24)21-19(8-9-19)12-4-6-13(25-3)7-5-12;1-7-4-10(12(19)5-11(7)18)6-21-16(24)15-14(20)13-8(2)9(3)22-23-17(13)25-15;1-9-10(2)20-21-17-13(9)14(18)15(25-17)16(22)19-8-11-5-4-6-12(7-11)26(3,23)24;1-6-7(2)16-17-11-8(6)9(15)10(20-11)12(19)18-4-13(3,14)5-18/h4-7,15H,8-10,21H2,1-3H3,(H,22,26);6-9H,10,21H2,1-5H3,(H,22,25);4-7H,8-9,21H2,1-3H3;4-7H,8-9,20H2,1-3H3,(H,21,24);4-5H,6,20H2,1-3H3,(H,21,24);4-7H,8,18H2,1-3H3,(H,19,22);4-5,15H2,1-3H3
• InChIKey: MLKICWSKYHKFIR-UHFFFAOYSA-N
• XLogP: 20.45
• TPSA: 638.70 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 23
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2616.24
LogP ≤ 5	20.45
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

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-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)methyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;5-amino-N-[1-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)methyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;5-amino-N-[1-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 159600467) is 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)methyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;5-amino-N-[1-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

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-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)methyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;5-amino-N-[1-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)methyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;5-amino-N-[1-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is COc1ccc(C2(NC(=O)c3sc4nnc(C)c(C)c4c3N)CC2)cc1.COc1cccc(C2(F)CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)cc1F.Cc1ccc(CN2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)N3CC(C)(F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(C)C)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3cccc(S(C)(=O)=O)c3)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-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)methyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;5-amino-N-[1-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is MLKICWSKYHKFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS.C20H24N4O3S2.C19H19FN4O2S.C19H20N4O2S.C17H16F2N4OS.C17H18N4O3S2.C13H15FN4OS/c1-11-4-6-14(7-5-11)8-25-9-15(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)22-23-17-14(10)15(21)16(27-17)18(25)24-8-19(20,9-24)12-5-4-6-13(7-12)26-3;1-10-11(2)22-23-18-14(10)15(20)16(26-18)17(24)21-19(8-9-19)12-4-6-13(25-3)7-5-12;1-7-4-10(12(19)5-11(7)18)6-21-16(24)15-14(20)13-8(2)9(3)22-23-17(13)25-15;1-9-10(2)20-21-17-13(9)14(18)15(25-17)16(22)19-8-11-5-4-6-12(7-11)26(3,23)24;1-6-7(2)16-17-11-8(6)9(15)10(20-11)12(19)18-4-13(3,14)5-18/h4-7,15H,8-10,21H2,1-3H3,(H,22,26);6-9H,10,21H2,1-5H3,(H,22,25);4-7H,8-9,21H2,1-3H3;4-7H,8-9,20H2,1-3H3,(H,21,24);4-5H,6,20H2,1-3H3,(H,21,24);4-7H,8,18H2,1-3H3,(H,19,22);4-5,15H2,1-3H3.

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-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)methyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;5-amino-N-[1-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)methyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;5-amino-N-[1-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2616.24 g/mol, XLogP of 20.45, 23 rotatable bonds, 12 hydrogen bond donors, and 42 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-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)methyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;5-amino-N-[1-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 159600467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).