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

C115H120F2N26O18S9 — CID 157184831

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

5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-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-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 157184831) has the molecular formula C115H120F2N26O18S9 and a molecular weight of 2480.99 g/mol. Its IUPAC name is 5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-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-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-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-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 157184831
• Molecular Formula: C115H120F2N26O18S9
• Molecular Weight: 2480.99 g/mol
• Exact Mass: 2478.67
• IUPAC Name: 5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-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-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(C(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c(OC)c1.COc1ccc(S(=O)(=O)C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.COc1ccc(SC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1cc(S(=O)(=O)C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)ccc1F.Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccccc4)C3)c(N)c2c1C
• InChI: InChI=1S/C21H23N5O4S.C19H19FN4O3S2.C19H19N5O2S.C19H20N4O4S2.C19H20N4O2S2.C18H19FN4O3S/c1-10-11(2)24-25-20-16(10)17(22)18(31-20)19(27)23-12-8-26(9-12)21(28)14-6-5-13(29-3)7-15(14)30-4;1-9-6-12(4-5-14(9)20)29(26,27)13-7-24(8-13)19(25)17-16(21)15-10(2)11(3)22-23-18(15)28-17;1-10-11(2)22-23-18-14(10)15(20)16(27-18)17(25)21-13-8-24(9-13)19(26)12-6-4-3-5-7-12;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)26-13-6-4-12(25-3)5-7-13;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/h5-7,12H,8-9,22H2,1-4H3,(H,23,27);4-6,13H,7-8,21H2,1-3H3;3-7,13H,8-9,20H2,1-2H3,(H,21,25);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: AOZNVUYNUFHMPX-UHFFFAOYSA-N
• XLogP: 15.60
• TPSA: 623.31 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 43
• Rotatable Bonds: 25
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2480.99
LogP ≤ 5	15.60
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	43

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-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-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-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-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-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 157184831) is 5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-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-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

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

The canonical SMILES for 5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-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-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(C(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c(OC)c1.COc1ccc(S(=O)(=O)C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.COc1ccc(SC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1cc(S(=O)(=O)C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)ccc1F.Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccccc4)C3)c(N)c2c1C.

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

The InChIKey is AOZNVUYNUFHMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S.C19H19FN4O3S2.C19H19N5O2S.C19H20N4O4S2.C19H20N4O2S2.C18H19FN4O3S/c1-10-11(2)24-25-20-16(10)17(22)18(31-20)19(27)23-12-8-26(9-12)21(28)14-6-5-13(29-3)7-15(14)30-4;1-9-6-12(4-5-14(9)20)29(26,27)13-7-24(8-13)19(25)17-16(21)15-10(2)11(3)22-23-18(15)28-17;1-10-11(2)22-23-18-14(10)15(20)16(27-18)17(25)21-13-8-24(9-13)19(26)12-6-4-3-5-7-12;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)26-13-6-4-12(25-3)5-7-13;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/h5-7,12H,8-9,22H2,1-4H3,(H,23,27);4-6,13H,7-8,21H2,1-3H3;3-7,13H,8-9,20H2,1-2H3,(H,21,25);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-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-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-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-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-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2480.99 g/mol, XLogP of 15.60, 25 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-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-N-[[3-fluoro-4-(methoxymethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 157184831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).