5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate

C115H119ClF2N28O12S8 — CID 158493069

About 5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate

5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate (PubChem CID 158493069) has the molecular formula C115H119ClF2N28O12S8 and a molecular weight of 2415.39 g/mol. Its IUPAC name is 5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: 5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate
• PubChem CID: 158493069
• Molecular Formula: C115H119ClF2N28O12S8
• Molecular Weight: 2415.39 g/mol
• Exact Mass: 2412.70
• IUPAC Name: 5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate
• SMILES: C=S(C)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.COc1cccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1cccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1F.Cc1cncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)c1.Cc1nnc2sc(C(=O)NC3CCN(C(=O)Oc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccccc4Cl)C3)c(N)c2c1C
• InChI: InChI=1S/C22H21N5OS.C20H21N5O3S.C19H20ClN5OS.C19H21N5O4S2.C18H19FN4O2S2.C17H17FN4OS/c1-12-8-17(11-24-9-12)16-6-4-15(5-7-16)10-25-21(28)20-19(23)18-13(2)14(3)26-27-22(18)29-20;1-11-12(2)23-24-19-15(11)16(21)17(29-19)18(26)22-13-8-9-25(10-13)20(27)28-14-6-4-3-5-7-14;1-10-11(2)23-24-19-15(10)16(21)17(27-19)18(26)22-12-7-8-25(9-12)14-6-4-3-5-13(14)20;1-10-11(2)22-23-19-15(10)16(20)17(29-19)18(25)21-12-8-24(9-12)30(26,27)14-6-4-5-13(7-14)28-3;1-9-10(2)22-23-18-14(9)15(20)16(26-18)17(24)21-8-11-5-6-13(12(19)7-11)27(3,4)25;1-8-5-4-6-11(13(8)18)7-20-16(23)15-14(19)12-9(2)10(3)21-22-17(12)24-15/h4-9,11H,10,23H2,1-3H3,(H,25,28);3-7,13H,8-10,21H2,1-2H3,(H,22,26);3-6,12H,7-9,21H2,1-2H3,(H,22,26);4-7,12H,8-9,20H2,1-3H3,(H,21,25);5-7H,3,8,20H2,1-2,4H3,(H,21,24);4-6H,7,19H2,1-3H3,(H,20,23)
• InChIKey: HIXZSPCDLWTEMR-UHFFFAOYSA-N
• XLogP: 18.27
• TPSA: 594.75 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2415.39
LogP ≤ 5	18.27
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate?

The IUPAC name of 5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate (CID 158493069) is 5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate.

What is the SMILES notation for 5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate?

The canonical SMILES for 5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate is C=S(C)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.COc1cccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1cccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1F.Cc1cncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)c1.Cc1nnc2sc(C(=O)NC3CCN(C(=O)Oc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccccc4Cl)C3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate?

The InChIKey is HIXZSPCDLWTEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS.C20H21N5O3S.C19H20ClN5OS.C19H21N5O4S2.C18H19FN4O2S2.C17H17FN4OS/c1-12-8-17(11-24-9-12)16-6-4-15(5-7-16)10-25-21(28)20-19(23)18-13(2)14(3)26-27-22(18)29-20;1-11-12(2)23-24-19-15(11)16(21)17(29-19)18(26)22-13-8-9-25(10-13)20(27)28-14-6-4-3-5-7-14;1-10-11(2)23-24-19-15(10)16(21)17(27-19)18(26)22-12-7-8-25(9-12)14-6-4-3-5-13(14)20;1-10-11(2)22-23-19-15(10)16(20)17(29-19)18(25)21-12-8-24(9-12)30(26,27)14-6-4-5-13(7-14)28-3;1-9-10(2)22-23-18-14(9)15(20)16(26-18)17(24)21-8-11-5-6-13(12(19)7-11)27(3,4)25;1-8-5-4-6-11(13(8)18)7-20-16(23)15-14(19)12-9(2)10(3)21-22-17(12)24-15/h4-9,11H,10,23H2,1-3H3,(H,25,28);3-7,13H,8-10,21H2,1-2H3,(H,22,26);3-6,12H,7-9,21H2,1-2H3,(H,22,26);4-7,12H,8-9,20H2,1-3H3,(H,21,25);5-7H,3,8,20H2,1-2,4H3,(H,21,24);4-6H,7,19H2,1-3H3,(H,20,23).

What are the key properties of 5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate?

5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 2415.39 g/mol, XLogP of 18.27, 22 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 158493069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).