(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C116H124F2N24O13S9 — CID 161164464

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 161164464) has the molecular formula C116H124F2N24O13S9 and a molecular weight of 2389.02 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 161164464
• Molecular Formula: C116H124F2N24O13S9
• Molecular Weight: 2389.02 g/mol
• Exact Mass: 2386.72
• IUPAC Name: (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: COCOc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.COc1ccc(C2CCN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2C)cc1.COc1ccc(S(=O)(=O)C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.COc1cccc(SC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1ccc(SC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c(F)c1.Cc1nnc2sc(C(=O)N3CCC(c4ccccc4)C3C)c(N)c2c1C
• InChI: InChI=1S/C21H24N4O2S.C20H22N4OS.C19H19FN4OS2.C19H20N4O4S2.C19H20N4O2S2.C18H19FN4O3S/c1-11-12(2)23-24-20-17(11)18(22)19(28-20)21(26)25-10-9-16(13(25)3)14-5-7-15(27-4)8-6-14;1-11-12(2)22-23-19-16(11)17(21)18(26-19)20(25)24-10-9-15(13(24)3)14-7-5-4-6-8-14;1-9-4-5-14(13(20)6-9)26-12-7-24(8-12)19(25)17-16(21)15-10(2)11(3)22-23-18(15)27-17;1-10-11(2)21-22-18-15(10)16(20)17(28-18)19(24)23-8-14(9-23)29(25,26)13-6-4-12(27-3)5-7-13;1-10-11(2)21-22-18-15(10)16(20)17(27-18)19(24)23-8-14(9-23)26-13-6-4-5-12(7-13)25-3;1-9-10(2)22-23-18-14(9)15(20)16(27-18)17(24)21-7-11-4-5-13(12(19)6-11)26-8-25-3/h5-8,13,16H,9-10,22H2,1-4H3;4-8,13,15H,9-10,21H2,1-3H3;4-6,12H,7-8,21H2,1-3H3;4-7,14H,8-9,20H2,1-3H3;4-7,14H,8-9,20H2,1-3H3;4-6H,7-8,20H2,1-3H3,(H,21,24)
• InChIKey: UQIMRSZZMSIUEG-UHFFFAOYSA-N
• XLogP: 20.44
• TPSA: 521.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 22
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2389.02
LogP ≤ 5	20.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 161164464) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is COCOc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.COc1ccc(C2CCN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2C)cc1.COc1ccc(S(=O)(=O)C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.COc1cccc(SC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1ccc(SC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c(F)c1.Cc1nnc2sc(C(=O)N3CCC(c4ccccc4)C3C)c(N)c2c1C.

What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is UQIMRSZZMSIUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S.C20H22N4OS.C19H19FN4OS2.C19H20N4O4S2.C19H20N4O2S2.C18H19FN4O3S/c1-11-12(2)23-24-20-17(11)18(22)19(28-20)21(26)25-10-9-16(13(25)3)14-5-7-15(27-4)8-6-14;1-11-12(2)22-23-19-16(11)17(21)18(26-19)20(25)24-10-9-15(13(24)3)14-7-5-4-6-8-14;1-9-4-5-14(13(20)6-9)26-12-7-24(8-12)19(25)17-16(21)15-10(2)11(3)22-23-18(15)27-17;1-10-11(2)21-22-18-15(10)16(20)17(28-18)19(24)23-8-14(9-23)29(25,26)13-6-4-12(27-3)5-7-13;1-10-11(2)21-22-18-15(10)16(20)17(27-18)19(24)23-8-14(9-23)26-13-6-4-5-12(7-13)25-3;1-9-10(2)22-23-18-14(9)15(20)16(27-18)17(24)21-7-11-4-5-13(12(19)6-11)26-8-25-3/h5-8,13,16H,9-10,22H2,1-4H3;4-8,13,15H,9-10,21H2,1-3H3;4-6,12H,7-8,21H2,1-3H3;4-7,14H,8-9,20H2,1-3H3;4-7,14H,8-9,20H2,1-3H3;4-6H,7-8,20H2,1-3H3,(H,21,24).

What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2389.02 g/mol, XLogP of 20.44, 22 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfanylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 161164464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).