5-amino-N-tert-butyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(dimethylamino)-3-phenylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-4-ylphenyl)azetidin-1-yl]methanone;5-amino-N-(3H-isoindol-5-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C133H135F4N33O9S8 — CID 157283824

About 5-amino-N-tert-butyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(dimethylamino)-3-phenylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-4-ylphenyl)azetidin-1-yl]methanone;5-amino-N-(3H-isoindol-5-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-tert-butyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(dimethylamino)-3-phenylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-4-ylphenyl)azetidin-1-yl]methanone;5-amino-N-(3H-isoindol-5-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 157283824) has the molecular formula C133H135F4N33O9S8 and a molecular weight of 2672.29 g/mol. Its IUPAC name is 5-amino-N-tert-butyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(dimethylamino)-3-phenylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-4-ylphenyl)azetidin-1-yl]methanone;5-amino-N-(3H-isoindol-5-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-tert-butyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(dimethylamino)-3-phenylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-4-ylphenyl)azetidin-1-yl]methanone;5-amino-N-(3H-isoindol-5-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 157283824
• Molecular Formula: C133H135F4N33O9S8
• Molecular Weight: 2672.29 g/mol
• Exact Mass: 2669.88
• IUPAC Name: 5-amino-N-tert-butyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(dimethylamino)-3-phenylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-4-ylphenyl)azetidin-1-yl]methanone;5-amino-N-(3H-isoindol-5-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: Cc1nnc2sc(C(=O)N3CC(F)(c4cccc(-c5cccnc5)c4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(F)(c4cccc(-c5ccncc5)c4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NCc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(c4ccccc4)(N(C)C)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC(C)(C)C)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)Nc3ccc4c(c3)CN=C4)c(N)c2c1C
• InChI: InChI=1S/2C23H20FN5OS.C20H23N5OS.C19H21N5OS.C18H18F2N4O3S2.C17H15N5OS.C13H18N4OS/c1-13-14(2)27-28-21-18(13)19(25)20(31-21)22(30)29-11-23(24,12-29)17-7-3-5-15(9-17)16-6-4-8-26-10-16;1-13-14(2)27-28-21-18(13)19(25)20(31-21)22(30)29-11-23(24,12-29)17-5-3-4-16(10-17)15-6-8-26-9-7-15;1-12-13(2)22-23-18-15(12)16(21)17(27-18)19(26)25-10-20(11-25,24(3)4)14-8-6-5-7-9-14;1-11-12(2)22-23-18-15(11)16(20)17(26-18)19(25)24-9-14(10-24)21-8-13-6-4-3-5-7-13;1-9-10(2)23-24-17-13(9)14(21)15(28-17)16(25)22-8-11-4-6-12(7-5-11)29(26,27)18(3,19)20;1-8-9(2)21-22-17-13(8)14(18)15(24-17)16(23)20-12-4-3-10-6-19-7-11(10)5-12;1-6-7(2)16-17-12-8(6)9(14)10(19-12)11(18)15-13(3,4)5/h2*3-10H,11-12,25H2,1-2H3;5-9H,10-11,21H2,1-4H3;3-7,14,21H,8-10,20H2,1-2H3;4-7H,8,21H2,1-3H3,(H,22,25);3-6H,7,18H2,1-2H3,(H,20,23);14H2,1-5H3,(H,15,18)
• InChIKey: AZZJNSZHWWRJSG-UHFFFAOYSA-N
• XLogP: 22.55
• TPSA: 618.69 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 42
• Rotatable Bonds: 21
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2672.29
LogP ≤ 5	22.55
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-tert-butyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(dimethylamino)-3-phenylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-4-ylphenyl)azetidin-1-yl]methanone;5-amino-N-(3H-isoindol-5-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-N-tert-butyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(dimethylamino)-3-phenylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-4-ylphenyl)azetidin-1-yl]methanone;5-amino-N-(3H-isoindol-5-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 157283824) is 5-amino-N-tert-butyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(dimethylamino)-3-phenylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-4-ylphenyl)azetidin-1-yl]methanone;5-amino-N-(3H-isoindol-5-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-N-tert-butyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(dimethylamino)-3-phenylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-4-ylphenyl)azetidin-1-yl]methanone;5-amino-N-(3H-isoindol-5-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-N-tert-butyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(dimethylamino)-3-phenylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-4-ylphenyl)azetidin-1-yl]methanone;5-amino-N-(3H-isoindol-5-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is Cc1nnc2sc(C(=O)N3CC(F)(c4cccc(-c5cccnc5)c4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(F)(c4cccc(-c5ccncc5)c4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NCc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(c4ccccc4)(N(C)C)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC(C)(C)C)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)Nc3ccc4c(c3)CN=C4)c(N)c2c1C.

What is the InChIKey of 5-amino-N-tert-butyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(dimethylamino)-3-phenylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-4-ylphenyl)azetidin-1-yl]methanone;5-amino-N-(3H-isoindol-5-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is AZZJNSZHWWRJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20FN5OS.C20H23N5OS.C19H21N5OS.C18H18F2N4O3S2.C17H15N5OS.C13H18N4OS/c1-13-14(2)27-28-21-18(13)19(25)20(31-21)22(30)29-11-23(24,12-29)17-7-3-5-15(9-17)16-6-4-8-26-10-16;1-13-14(2)27-28-21-18(13)19(25)20(31-21)22(30)29-11-23(24,12-29)17-5-3-4-16(10-17)15-6-8-26-9-7-15;1-12-13(2)22-23-18-15(12)16(21)17(27-18)19(26)25-10-20(11-25,24(3)4)14-8-6-5-7-9-14;1-11-12(2)22-23-18-15(11)16(20)17(26-18)19(25)24-9-14(10-24)21-8-13-6-4-3-5-7-13;1-9-10(2)23-24-17-13(9)14(21)15(28-17)16(25)22-8-11-4-6-12(7-5-11)29(26,27)18(3,19)20;1-8-9(2)21-22-17-13(8)14(18)15(24-17)16(23)20-12-4-3-10-6-19-7-11(10)5-12;1-6-7(2)16-17-12-8(6)9(14)10(19-12)11(18)15-13(3,4)5/h2*3-10H,11-12,25H2,1-2H3;5-9H,10-11,21H2,1-4H3;3-7,14,21H,8-10,20H2,1-2H3;4-7H,8,21H2,1-3H3,(H,22,25);3-6H,7,18H2,1-2H3,(H,20,23);14H2,1-5H3,(H,15,18).

What are the key properties of 5-amino-N-tert-butyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(dimethylamino)-3-phenylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-4-ylphenyl)azetidin-1-yl]methanone;5-amino-N-(3H-isoindol-5-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

5-amino-N-tert-butyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(dimethylamino)-3-phenylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-4-ylphenyl)azetidin-1-yl]methanone;5-amino-N-(3H-isoindol-5-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2672.29 g/mol, XLogP of 22.55, 21 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-tert-butyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(dimethylamino)-3-phenylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-pyridin-4-ylphenyl)azetidin-1-yl]methanone;5-amino-N-(3H-isoindol-5-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 157283824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).