2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)methanone;5-amino-N-[3-(1,1-difluoroethyl)-5-fluorophenyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[3-(methylsulfonylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropane-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenyl-3-phenylmethoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

C112H124F3N27O11S8 — CID 158838378

About 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)methanone;5-amino-N-[3-(1,1-difluoroethyl)-5-fluorophenyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[3-(methylsulfonylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropane-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenyl-3-phenylmethoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)methanone;5-amino-N-[3-(1,1-difluoroethyl)-5-fluorophenyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[3-(methylsulfonylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropane-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenyl-3-phenylmethoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 158838378) has the molecular formula C112H124F3N27O11S8 and a molecular weight of 2337.93 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)methanone;5-amino-N-[3-(1,1-difluoroethyl)-5-fluorophenyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[3-(methylsulfonylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropane-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenyl-3-phenylmethoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

• Compound Name: 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)methanone;5-amino-N-[3-(1,1-difluoroethyl)-5-fluorophenyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[3-(methylsulfonylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropane-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenyl-3-phenylmethoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
• PubChem CID: 158838378
• Molecular Formula: C112H124F3N27O11S8
• Molecular Weight: 2337.93 g/mol
• Exact Mass: 2335.77
• IUPAC Name: 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)methanone;5-amino-N-[3-(1,1-difluoroethyl)-5-fluorophenyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[3-(methylsulfonylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropane-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenyl-3-phenylmethoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
• SMILES: Cc1nnc2sc(C(=O)N3CC(NS(=O)(=O)CCCc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(OCc4ccccc4)(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC4CNCC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCC(N4CCCC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)Nc3cc(F)cc(C(C)(F)F)c3)c(N)c2c1C.Cc1nnc2sc(C(=O)Nc3cccc(CS(C)(=O)=O)c3)c(N)c2c1C
• InChI: InChI=1S/C25H24N4O2S.C21H25N5O3S2.C17H15F3N4OS.C17H23N5OS.C17H18N4O3S2.C15H19N5OS/c1-16-17(2)27-28-23-20(16)21(26)22(32-23)24(30)29-14-25(15-29,19-11-7-4-8-12-19)31-13-18-9-5-3-6-10-18;1-13-14(2)23-24-20-17(13)18(22)19(30-20)21(27)26-11-16(12-26)25-31(28,29)10-6-9-15-7-4-3-5-8-15;1-7-8(2)23-24-16-12(7)13(21)14(26-16)15(25)22-11-5-9(17(3,19)20)4-10(18)6-11;1-10-11(2)19-20-16-13(10)14(18)15(24-16)17(23)22-8-5-12(9-22)21-6-3-4-7-21;1-9-10(2)20-21-17-13(9)14(18)15(25-17)16(22)19-12-6-4-5-11(7-12)8-26(3,23)24;1-7-8(2)18-19-14-11(7)12(16)13(22-14)15(21)20-5-9-3-17-4-10(9)6-20/h3-12H,13-15,26H2,1-2H3;3-5,7-8,16,25H,6,9-12,22H2,1-2H3;4-6H,21H2,1-3H3,(H,22,25);12H,3-9,18H2,1-2H3;4-7H,8,18H2,1-3H3,(H,19,22);9-10,17H,3-6,16H2,1-2H3
• InChIKey: IXXQVVRBDLXVJY-UHFFFAOYSA-N
• XLogP: 17.19
• TPSA: 555.05 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2337.93
LogP ≤ 5	17.19
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)methanone;5-amino-N-[3-(1,1-difluoroethyl)-5-fluorophenyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[3-(methylsulfonylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropane-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenyl-3-phenylmethoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?

The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)methanone;5-amino-N-[3-(1,1-difluoroethyl)-5-fluorophenyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[3-(methylsulfonylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropane-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenyl-3-phenylmethoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (CID 158838378) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)methanone;5-amino-N-[3-(1,1-difluoroethyl)-5-fluorophenyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[3-(methylsulfonylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropane-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenyl-3-phenylmethoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.

What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)methanone;5-amino-N-[3-(1,1-difluoroethyl)-5-fluorophenyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[3-(methylsulfonylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropane-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenyl-3-phenylmethoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?

The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)methanone;5-amino-N-[3-(1,1-difluoroethyl)-5-fluorophenyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[3-(methylsulfonylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropane-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenyl-3-phenylmethoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is Cc1nnc2sc(C(=O)N3CC(NS(=O)(=O)CCCc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(OCc4ccccc4)(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC4CNCC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCC(N4CCCC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)Nc3cc(F)cc(C(C)(F)F)c3)c(N)c2c1C.Cc1nnc2sc(C(=O)Nc3cccc(CS(C)(=O)=O)c3)c(N)c2c1C.

What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)methanone;5-amino-N-[3-(1,1-difluoroethyl)-5-fluorophenyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[3-(methylsulfonylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropane-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenyl-3-phenylmethoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?

The InChIKey is IXXQVVRBDLXVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S.C21H25N5O3S2.C17H15F3N4OS.C17H23N5OS.C17H18N4O3S2.C15H19N5OS/c1-16-17(2)27-28-23-20(16)21(26)22(32-23)24(30)29-14-25(15-29,19-11-7-4-8-12-19)31-13-18-9-5-3-6-10-18;1-13-14(2)23-24-20-17(13)18(22)19(30-20)21(27)26-11-16(12-26)25-31(28,29)10-6-9-15-7-4-3-5-8-15;1-7-8(2)23-24-16-12(7)13(21)14(26-16)15(25)22-11-5-9(17(3,19)20)4-10(18)6-11;1-10-11(2)19-20-16-13(10)14(18)15(24-16)17(23)22-8-5-12(9-22)21-6-3-4-7-21;1-9-10(2)20-21-17-13(9)14(18)15(25-17)16(22)19-12-6-4-5-11(7-12)8-26(3,23)24;1-7-8(2)18-19-14-11(7)12(16)13(22-14)15(21)20-5-9-3-17-4-10(9)6-20/h3-12H,13-15,26H2,1-2H3;3-5,7-8,16,25H,6,9-12,22H2,1-2H3;4-6H,21H2,1-3H3,(H,22,25);12H,3-9,18H2,1-2H3;4-7H,8,18H2,1-3H3,(H,19,22);9-10,17H,3-6,16H2,1-2H3.

What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)methanone;5-amino-N-[3-(1,1-difluoroethyl)-5-fluorophenyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[3-(methylsulfonylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropane-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenyl-3-phenylmethoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)methanone;5-amino-N-[3-(1,1-difluoroethyl)-5-fluorophenyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[3-(methylsulfonylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropane-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenyl-3-phenylmethoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 2337.93 g/mol, XLogP of 17.19, 22 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)methanone;5-amino-N-[3-(1,1-difluoroethyl)-5-fluorophenyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[3-(methylsulfonylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropane-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenyl-3-phenylmethoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 158838378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).